[4-(1,3,4,4,5,5,6-heptamethyl-6-silyloxycyclohex-2-en-1-yl)-3,4-disilyloxybut-3-enyl]-methylsilane

C18H40O3Si4 — CID 151496640

IUPAC[4-(1,3,4,4,5,5,6-heptamethyl-6-silyloxycyclohex-2-en-1-yl)-3,4-disilyloxybut-3-enyl]-methylsilane
SMILESC[SiH2]CCC(O[SiH3])=C(O[SiH3])C1(C)C=C(C)C(C)(C)C(C)(C)C1(C)O[SiH3]
InChIInChI=1S/C18H40O3Si4/c1-12-11-17(6,14(20-23)13(19-22)9-10-25-8)18(7,21-24)16(4,5)15(12,2)3/h11H,9-10,25H2,1-8,22-24H3
InChIKeyPPOCVHPRWNSDAO-UHFFFAOYSA-N
MW416.86 g/mol
LogP0.89
Rot. Bonds7

About [4-(1,3,4,4,5,5,6-heptamethyl-6-silyloxycyclohex-2-en-1-yl)-3,4-disilyloxybut-3-enyl]-methylsilane

[4-(1,3,4,4,5,5,6-heptamethyl-6-silyloxycyclohex-2-en-1-yl)-3,4-disilyloxybut-3-enyl]-methylsilane (PubChem CID 151496640) has the molecular formula C18H40O3Si4 and a molecular weight of 416.86 g/mol. Its IUPAC name is [4-(1,3,4,4,5,5,6-heptamethyl-6-silyloxycyclohex-2-en-1-yl)-3,4-disilyloxybut-3-enyl]-methylsilane.

Molecular Properties

Compound Name[4-(1,3,4,4,5,5,6-heptamethyl-6-silyloxycyclohex-2-en-1-yl)-3,4-disilyloxybut-3-enyl]-methylsilane
PubChem CID151496640
Molecular FormulaC18H40O3Si4
Molecular Weight416.86 g/mol
Exact Mass416.21
IUPAC Name[4-(1,3,4,4,5,5,6-heptamethyl-6-silyloxycyclohex-2-en-1-yl)-3,4-disilyloxybut-3-enyl]-methylsilane
SMILESC[SiH2]CCC(O[SiH3])=C(O[SiH3])C1(C)C=C(C)C(C)(C)C(C)(C)C1(C)O[SiH3]
InChIInChI=1S/C18H40O3Si4/c1-12-11-17(6,14(20-23)13(19-22)9-10-25-8)18(7,21-24)16(4,5)15(12,2)3/h11H,9-10,25H2,1-8,22-24H3
InChIKeyPPOCVHPRWNSDAO-UHFFFAOYSA-N
XLogP0.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.86
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

((3-(Tert-butyl)cyclohex-1-en-1-yl)oxy)triethylsilane
CID 101998066
tri(propan-2-yl)-[[(1S,3E,7E,11R)-1,4,8-trimethyl-13-bicyclo[9.4.0]pentadeca-3,7,12-trienyl]oxy]silane
CID 134979719
3-[2-[Tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohexen-1-olate
CID 164683732
(3-Butyl-4,4-dimethylcyclohexen-1-yl)oxy-triethylsilane
CID 101998070
trimethyl-[(2S)-6-methyl-2-[(1S,4R)-4-methyl-2-trimethylsilyloxycyclohex-2-en-1-yl]hept-5-en-2-yl]oxysilane
CID 132510972
triethyl-[(3R,6S)-3-methyl-6-[(2S)-6-methyl-2-trimethylsilyloxyhept-5-en-2-yl]cyclohexen-1-yl]oxysilane
CID 132510973
[(3S)-4-(2-tert-butylsilyloxypropan-2-yl)-3-(6-methylhept-2-en-2-yl)cyclohexen-1-yl]oxy-triethylsilane
CID 149765410
[2-(1,3,4,4,5,5,6-Heptamethyl-6-silyloxycyclohex-2-en-1-yl)-1,2-disilyloxyethenyl]-methylsilane
CID 153806031
[(3aS,6R,7aR)-3a-methyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 11289704
[3,3-Dimethyl-2,4,6-tris(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-trimethylsilane
CID 15984506
Tert-butyl-[5,5-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane
CID 16732481
Tert-butyl-dimethyl-[3-(2-methylbut-3-en-2-yl)cyclohexen-1-yl]oxysilane
CID 101155877

Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4,4,5,5,6-heptamethyl-6-silyloxycyclohex-2-en-1-yl)-3,4-disilyloxybut-3-enyl]-methylsilane?
The IUPAC name of [4-(1,3,4,4,5,5,6-heptamethyl-6-silyloxycyclohex-2-en-1-yl)-3,4-disilyloxybut-3-enyl]-methylsilane (CID 151496640) is [4-(1,3,4,4,5,5,6-heptamethyl-6-silyloxycyclohex-2-en-1-yl)-3,4-disilyloxybut-3-enyl]-methylsilane.
What is the SMILES notation for [4-(1,3,4,4,5,5,6-heptamethyl-6-silyloxycyclohex-2-en-1-yl)-3,4-disilyloxybut-3-enyl]-methylsilane?
The canonical SMILES for [4-(1,3,4,4,5,5,6-heptamethyl-6-silyloxycyclohex-2-en-1-yl)-3,4-disilyloxybut-3-enyl]-methylsilane is C[SiH2]CCC(O[SiH3])=C(O[SiH3])C1(C)C=C(C)C(C)(C)C(C)(C)C1(C)O[SiH3].
What is the InChIKey of [4-(1,3,4,4,5,5,6-heptamethyl-6-silyloxycyclohex-2-en-1-yl)-3,4-disilyloxybut-3-enyl]-methylsilane?
The InChIKey is PPOCVHPRWNSDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si4/c1-12-11-17(6,14(20-23)13(19-22)9-10-25-8)18(7,21-24)16(4,5)15(12,2)3/h11H,9-10,25H2,1-8,22-24H3.
What are the key properties of [4-(1,3,4,4,5,5,6-heptamethyl-6-silyloxycyclohex-2-en-1-yl)-3,4-disilyloxybut-3-enyl]-methylsilane?
[4-(1,3,4,4,5,5,6-heptamethyl-6-silyloxycyclohex-2-en-1-yl)-3,4-disilyloxybut-3-enyl]-methylsilane has a molecular weight of 416.86 g/mol, XLogP of 0.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4,4,5,5,6-heptamethyl-6-silyloxycyclohex-2-en-1-yl)-3,4-disilyloxybut-3-enyl]-methylsilane is sourced from PubChem (CID 151496640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).