2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane

C19H36O3Si — CID 174290806

IUPAC2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane
SMILESCCOC1(CCC2CC=CCC2)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C19H36O3Si/c1-4-20-19(16-14-18-12-8-7-9-13-18)15-10-11-17-23(19,21-5-2)22-6-3/h7-8,18H,4-6,9-17H2,1-3H3
InChIKeyCRMFNYLIFYXRKE-UHFFFAOYSA-N
MW340.58 g/mol
LogP5.14
Rot. Bonds9

About 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane

2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane (PubChem CID 174290806) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane.

Molecular Properties

Compound Name2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane
PubChem CID174290806
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane
SMILESCCOC1(CCC2CC=CCC2)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C19H36O3Si/c1-4-20-19(16-14-18-12-8-7-9-13-18)15-10-11-17-23(19,21-5-2)22-6-3/h7-8,18H,4-6,9-17H2,1-3H3
InChIKeyCRMFNYLIFYXRKE-UHFFFAOYSA-N
XLogP5.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol
CID 11292059
tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane
CID 162400600
(Cyclohexyl(4-fluorocyclohex-3-enyl)methoxy)triethylsilane
CID 131747135
tert-butyl-dimethyl-[[(2S,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 11196881
Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
CID 11313354
(4aS,7S)-1,1,7-trimethyl-3,4,4a,7,8,8a-hexahydro-2,1-benzoxasiline
CID 134889402
tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134900451
tert-butyl-dimethyl-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 134960630
1-cyclohexylprop-2-enoxy-[(2E,5E)-hepta-2,5-dien-4-yl]oxy-di(propan-2-yl)silane
CID 135079746
(S,e)-t-butyl(dimethyl)[(13-methylheptadec-10-en-1-yl)oxy]silane
CID 146679946
[(3R)-3-[(E)-3-butoxyprop-1-enyl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427857
[(3R)-3-[3-[(E)-but-2-enoxy]prop-1-en-2-yl]-2-butylcyclohexen-1-yl]oxy-triethylsilane
CID 176427868

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane?
The IUPAC name of 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane (CID 174290806) is 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane.
What is the SMILES notation for 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane?
The canonical SMILES for 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane is CCOC1(CCC2CC=CCC2)CCCC[Si]1(OCC)OCC.
What is the InChIKey of 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane?
The InChIKey is CRMFNYLIFYXRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-4-20-19(16-14-18-12-8-7-9-13-18)15-10-11-17-23(19,21-5-2)22-6-3/h7-8,18H,4-6,9-17H2,1-3H3.
What are the key properties of 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane?
2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane has a molecular weight of 340.58 g/mol, XLogP of 5.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohex-3-en-1-ylethyl)-1,1,2-triethoxysilinane is sourced from PubChem (CID 174290806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).