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5356 89 8 | Cheminformatics

Chemical : (2,2-Di-tert-butoxyethenyl)(methyl)silane

Casrn : 5356-89-8

MolName : (2,2-Di-tert-butoxyethenyl)(methyl)silane

MolecularFormula : C11H24O2Si

Smiles : CC(C)(C)OC(OC(C)(C)C)=C[SiH2]C

InChI : InChI=1S/C11H24O2Si/c1-10(2,3)12-9(8-14-7)13-11(4,5)6/h8H,14H2,1-7H3

InChIK : XZXLAIPPJAWEIV-UHFFFAOYSA-N

CanonicalSyTyLFy : 1724bfa5420870a1

TotalMolweight : 216.396

Molweight : 216.396

MonoisotopicMass : 216.154557

CLogP : 3.2898

CLogS : -3.599

H Acceptors : 2

TotalSurfaceArea : 164.85

Relative PSA : 0.12132

PolarSurfaceArea : 18.46

Druglikeness : -37.507

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : high

Nasty Functions :

Shape Index : 0.5

Molecula Flexibility : 0.74632

Molecular Complexity : 0.49929

Fragments : 1

Non HAtoms : 14

NonCHAtoms : 3

Electronegative Atoms : 2

Rotatable Bond : 5

Sp3Atoms : 11

Symmetricatoms : 7

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
1000339-32-1nonenonenoneC11H14NF179.2370.6275
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077
1000-40-4highnonelowC10H24S2Sn327.143-7.0269
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
100-40-3nonenonehighC8H12108.183-9.1684
1000018-13-2nonenonenoneC11H14NO2Br272.141-5.4951
100004-81-7nonenonenoneC13H11NO3229.234-1.3547
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
100005-12-7nonenonelowC11H10NCl191.662.2675
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
100-96-9highnonenoneC7H10N2O138.169-1.7412
1000339-51-4nonenonenoneC7H4NO4F185.11-8.2861
10001-30-6nonenonenoneC17H14O4282.294-0.8408
100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1
10003-67-5nonenonenoneC33H62O6554.849-22.973
100-19-6nonenonenoneC8H7NO3165.148-7.0365
100-47-0highnonehighC7H5N103.124-6.0498
100-51-6highhighhighC7H8O108.14-2.2456
100010-99-9nonenonenoneC11H24O2188.31-23.185
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
1000269-67-9nonenonenoneC13H22N4234.3460.99367
100-06-1nonenonenoneC9H10O2150.176-1.6836
100031-88-7nonenonehighC10H30O3Si4310.689-53.619
100-49-2nonenonenoneC7H14O114.187-9.3679
1000-57-3highnonelowC6H16SSn238.969-7.4261
100-73-2highnonenoneC6H8O2112.128-6.3422
100-29-8nonenonenoneC8H9NO3167.163-8.928
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
1000-44-8highhighlowC7H7Cl126.586-8.5908
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766
1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952
100-69-6nonenonenoneC7H7N105.14-4.4598
100-92-5nonenonenoneC11H17N163.2631.1672
100033-59-8nonenonenoneC8H16N2140.2290.9406
100-54-9nonenonenoneC6H4N2104.112-6.0498
100020-34-6nonenonenoneC13H18S2238.418-0.23079
1000-84-6nonenonehighC4H9NO87.1215-6.3779
100020-83-5nonenonelowC7H11O3B153.972-20.814
10003-73-3nonenonenoneHCl.C7H10N2122.17-2.0712
100-89-0nonenonelowC18H36O6B2370.1-16.157
1000-16-4nonenonenoneC13H30NO3P279.359-34.244
100020-95-9highnonelowC12H17OCl212.719-11.962
100004-80-6nonenonenoneC13H11NO3229.234-1.3547
100031-92-3nonenonehighC10H30OSi4278.691-53.619
1000-82-4lowhighhighC2H6N2O290.08160.41759
100-28-7highlowlowC7H4N2O3164.12-21.552
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282
1000-43-7highhighhighC8H18Cl2Si213.223-31.848
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943
100007-54-3nonenonenoneC28H30O13574.533-1.9839
10002-97-8nonenonenoneC18H30O2278.4340.24997