Menu

(1E,4Z,6E)-1,7-Bis(4-{[tert-butyl(dimethyl)silyl]oxy}-3-methoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one

CAS Number: 1134639-23-8
Structure Viewer
Loading molecule structure...
Open the 3D tab to load the molecule viewer
CC(C)(C)[Si](C)(C)Oc(ccc(/C=C/C(/C=C(/C=C/c(cc1)cc(OC)c1O[Si](C)(C)C(C)(C)C)\O)=O)c1)c1OC
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C33H48O6Si2
Molecular Weight
596.91
Drug-likeness
-78.375
CAS
1134639-23-8
InChI key
YTANFSVGWHEWKY-UHFFFAOYSA-N
SMILES
CC(C)(C)[Si](C)(C)Oc(ccc(/C=C/C(/C=C(/C=C/c(cc1)cc(OC)c1O[Si](C)(C)C(C)(C)C)\O)=O)c1)c1OC
ChemrytIQ
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 1134639-23-8
Molecule Name (1E,4Z,6E)-1,7-Bis(4-{[tert-butyl(dimethyl)silyl]oxy}-3-methoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one
Molecular Formula C33H48O6Si2
SMILES CC(C)(C)[Si](C)(C)Oc(ccc(/C=C/C(/C=C(/C=C/c(cc1)cc(OC)c1O[Si](C)(C)C(C)(C)C)\O)=O)c1)c1OC
InChI InChI=1S/C33H48O6Si2/c1-32(2,3)40(9,10)38-28-19-15-24(21-30(28)36-7)13-17-26(34)23-27(35)18-14-25-16-20-29(31(22-25)37-8)39-41(11,12)33(4,5)6/h13-23,34H,1-12H3
InChI Key YTANFSVGWHEWKY-UHFFFAOYSA-N
CanonicalSyTyLFy c82ce64bae31d043
TotalMolweight 596.91
Molecular Weight 596.91
MonoisotopicMass 596.298944
CLogP 9.5097
CLogS -7.723
H Acceptors 6
H Donors 1
TotalSurfaceArea 469.77
Relative PSA 0.14079
PolarSurfaceArea 74.22
Drug-likeness -78.375
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.56098
Molecula Flexibility 0.4661
Molecular Complexity 0.79818
Fragments 1
Non HAtoms 41
NonCHAtoms 8
Electronegative Atoms 6
Rotatable Bond 13
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 19
Symmetricatoms 6

Related CAS

Randomized CAS records for additional exploration.

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179 ChemrytIQ
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874 ChemrytIQ
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651 ChemrytIQ
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216 ChemrytIQ
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213 ChemrytIQ
10000-51-8nonenonenoneC14H15NO3245.2770.10503 ChemrytIQ
100009-99-2lowhighnoneC21H25NO4355.4332.9337 ChemrytIQ
100-99-2nonenonelowC12H27Al198.328-22.009 ChemrytIQ
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952 ChemrytIQ
1000279-69-5nonenonenoneC20H19N2O3ClS402.9015.7907 ChemrytIQ
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885 ChemrytIQ
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975 ChemrytIQ
100-33-4nonenonenoneC19H24N4O2340.426-7.2784 ChemrytIQ
100008-84-2nonenonenoneC22H14N2O2338.3653.1859 ChemrytIQ
1000018-26-7nonenonenoneC16H23NO3277.363-15.052 ChemrytIQ
10001-52-2highhighnoneC11H10N6O3S306.3056.7202 ChemrytIQ
100-62-9lownonenoneC7H7N105.14-1.1924 ChemrytIQ
1000304-40-4nonenonenoneC11H17NO179.2622.2651 ChemrytIQ
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1 ChemrytIQ
100-55-0nonenonenoneC6H7NO109.128-1.9045 ChemrytIQ
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988 ChemrytIQ
10003-69-7nonenonenoneC10H14O8S4390.4770.2775 ChemrytIQ
1000-82-4lowhighhighC2H6N2O290.08160.41759 ChemrytIQ
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575 ChemrytIQ
10003-42-6nonenonenoneC11H11NO4221.211-4.7046 ChemrytIQ
10002-30-9nonenonenoneC12H9NOS215.2750.083087 ChemrytIQ
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248 ChemrytIQ
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647 ChemrytIQ
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412 ChemrytIQ
100-53-8nonehighhighC7H8S124.207-6.3177 ChemrytIQ
1000269-68-0nonenonenoneC14H24N4248.3730.99367 ChemrytIQ
100007-67-8highnonelowC5H7OClF2156.559-12.702 ChemrytIQ
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638 ChemrytIQ
10-31-2001nonenonenoneC21H28NO6P421.428-10.542 ChemrytIQ
1000269-71-5nonenonehighC12H18N2O2222.287-10.925 ChemrytIQ
100-22-1highhighnoneC10H16N2164.2510.40939 ChemrytIQ
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592 ChemrytIQ
1000269-67-9nonenonenoneC13H22N4234.3460.99367 ChemrytIQ
10000-20-1nonelowhighC12H32N2Si2260.572-64.51 ChemrytIQ
100027-90-5highhighnoneC20H26N2Cl2.HCl.HCl365.3464.1664 ChemrytIQ
10001-46-4nonenonenoneC9H11N3O3209.2041.9565 ChemrytIQ
1000339-33-2nonenonenoneC10H11NClF199.6550.76 ChemrytIQ
100-92-5nonenonenoneC11H17N163.2631.1672 ChemrytIQ
1000339-32-1nonenonenoneC11H14NF179.2370.6275 ChemrytIQ
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756 ChemrytIQ
100-01-6nonenonenoneC6H6N2O2138.126-7.2389 ChemrytIQ
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137 ChemrytIQ
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683 ChemrytIQ
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121 ChemrytIQ
100003-81-4highhighnoneC8H7N2OClS214.6761.4208 ChemrytIQ
100005-68-3nonenonenoneC13H12O4232.234-4.9451 ChemrytIQ
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821 ChemrytIQ
100-09-4nonenonenoneC8H8O3152.149-1.597 ChemrytIQ
1000-57-3highnonelowC6H16SSn238.969-7.4261 ChemrytIQ
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285 ChemrytIQ
100016-58-8nonehighnoneC19H19NO5341.3621.8385 ChemrytIQ
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574 ChemrytIQ
100031-92-3nonenonehighC10H30OSi4278.691-53.619 ChemrytIQ
100-71-0nonenonenoneC7H9N107.155-2.2725 ChemrytIQ
1000303-67-2nonenonenoneC6H8N2O124.1432.717 ChemrytIQ