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65514 52 5 | Cheminformatics

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

Casrn : 65514-52-5

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

MolecularFormula : C10H22O2Si

Smiles : CC(C)(C)OC(OC(C)(C)C)=C[SiH3]

InChI : InChI=1S/C10H22O2Si/c1-9(2,3)11-8(7-13)12-10(4,5)6/h7H,1-6,13H3

InChIK : IVARRDLIAADPOT-UHFFFAOYSA-N

CanonicalSyTyLFy : 44a7ab7e8de995d2

TotalMolweight : 202.369

Molweight : 202.369

MonoisotopicMass : 202.138907

CLogP : 2.5931

CLogS : -3.409

H Acceptors : 2

TotalSurfaceArea : 145.84

Relative PSA : 0.13714

PolarSurfaceArea : 18.46

Druglikeness : -26.037

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : high

Nasty Functions :

Shape Index : 0.53846

Molecula Flexibility : 0.77216

Molecular Complexity : 0.4621

Fragments : 1

Non HAtoms : 13

NonCHAtoms : 3

Electronegative Atoms : 2

Rotatable Bond : 4

Sp3Atoms : 10

Symmetricatoms : 7

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
10000-42-7highhighlowC20H18N4O3362.388-5.7793
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
100020-94-8highnonelowC12H17OCl212.719-11.962
100-18-5nonenonenoneC12H18162.275-2.5088
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
100-09-4nonenonenoneC8H8O3152.149-1.597
100-92-5nonenonenoneC11H17N163.2631.1672
100004-78-2nonenonenoneC16H11NO2249.268-1.5746
100-70-9nonenonenoneC6H4N2104.112-6.0498
100-15-2nonehighnoneC7H8N2O2152.153-5.7806
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
1000339-45-6nonenonehighC8H14O2F2180.193-28.199
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
100-79-8nonelownoneC6H12O3132.158-9.8672
100-74-3highnonehighC6H13NO115.1753.7593
100-99-2nonenonelowC12H27Al198.328-22.009
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074
1000-44-8highhighlowC7H7Cl126.586-8.5908
100020-34-6nonenonenoneC13H18S2238.418-0.23079
100021-82-7nonenonenoneH3O4P.C18H38N2O298.513-22.282
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
100-61-8highnonenoneC7H9N107.155-0.23765
100-39-0highhighnoneC7H7Br171.037-7.8241
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651
100-45-8nonenonehighC7H9N107.155-10.018
10003-67-5nonenonenoneC33H62O6554.849-22.973
100-57-2highlowlowC6H6OHg294.703-2.3891
100-48-1nonenonenoneC6H4N2104.112-6.0498
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
100-07-2highhighlowC8H7O2Cl170.595-10.49
100-71-0nonenonenoneC7H9N107.155-2.2725
1000339-28-5nonenonenoneC14H8N2OBrCl335.588-0.59356
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
1000303-67-2nonenonenoneC6H8N2O124.1432.717
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
100-50-5nonenonehighC7H10O110.155-9.6048
1000018-26-7nonenonenoneC16H23NO3277.363-15.052
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
100-17-4nonenonenoneC7H7NO3153.137-7.2945
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
100-12-9nonenonenoneC8H9NO2151.164-7.7443
1000-82-4lowhighhighC2H6N2O290.08160.41759
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6
100-85-6nonenonenoneHO.C10H16N150.244-2.6575
100-06-1nonenonenoneC9H10O2150.176-1.6836
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
100005-68-3nonenonenoneC13H12O4232.234-4.9451
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
100-21-0highnonehighC8H6O4166.132-1.8442
1000-78-8highlownoneC11H24N2184.326-10.254
1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136
100-97-0highhighhighC6H12N4140.1891.5849
10001-08-8nonenonehighC11H22N2O198.309-3.1037
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051
100-87-8nonenonenoneC7H8O3S172.204-10.732