[3-(2-ethenylcyclohexyl)-3-methylpent-4-en-2-yl]oxy-diethoxy-ethylsilane

C20H38O3Si — CID 154697545

IUPAC[3-(2-ethenylcyclohexyl)-3-methylpent-4-en-2-yl]oxy-diethoxy-ethylsilane
SMILESC=CC1CCCCC1C(C)(C=C)C(C)O[Si](CC)(OCC)OCC
InChIInChI=1S/C20H38O3Si/c1-8-18-15-13-14-16-19(18)20(7,9-2)17(6)23-24(12-5,21-10-3)22-11-4/h8-9,17-19H,1-2,10-16H2,3-7H3
InChIKeyFPAYDUPHJWPVMW-UHFFFAOYSA-N
MW354.61 g/mol
LogP5.61
Rot. Bonds11

About [3-(2-ethenylcyclohexyl)-3-methylpent-4-en-2-yl]oxy-diethoxy-ethylsilane

[3-(2-ethenylcyclohexyl)-3-methylpent-4-en-2-yl]oxy-diethoxy-ethylsilane (PubChem CID 154697545) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is [3-(2-ethenylcyclohexyl)-3-methylpent-4-en-2-yl]oxy-diethoxy-ethylsilane.

Molecular Properties

Compound Name[3-(2-ethenylcyclohexyl)-3-methylpent-4-en-2-yl]oxy-diethoxy-ethylsilane
PubChem CID154697545
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name[3-(2-ethenylcyclohexyl)-3-methylpent-4-en-2-yl]oxy-diethoxy-ethylsilane
SMILESC=CC1CCCCC1C(C)(C=C)C(C)O[Si](CC)(OCC)OCC
InChIInChI=1S/C20H38O3Si/c1-8-18-15-13-14-16-19(18)20(7,9-2)17(6)23-24(12-5,21-10-3)22-11-4/h8-9,17-19H,1-2,10-16H2,3-7H3
InChIKeyFPAYDUPHJWPVMW-UHFFFAOYSA-N
XLogP5.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.61
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

Tert-butyl-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethoxy]-dimethylsilane
CID 14563308
trimethyl-[(1R,2S)-2-[(E)-4-trimethylsilylbut-3-en-2-yl]cyclohexyl]oxysilane
CID 135067883
[(6R)-6-cyclohexyloct-7-enoxy]-tri(propan-2-yl)silane
CID 176426908
t-Butyl-[2-(2,2-dimethyl-6-methylene-cyclohexylmethyl)-cyclopropoxy]-dimethyl-silane
CID 552481
[1-(Allylcyclohexyl)methoxy]triethylsilane
CID 23021184
2-[1,2-Bis(ethenyl)cyclohexyl]ethyl-triethoxysilane
CID 66694493
(2-Triethoxysilylethyl)divinylcyclohexane
CID 66694494
tert-butyl-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethoxy]-dimethylsilane
CID 139775020
[2-(2-Ethenylcyclohexyl)-2-methylbut-3-enoxy]-ethyl-dimethoxysilane
CID 154697544
Tert-butyl-dimethyl-spiro[5.5]undec-2-en-5-yloxysilane
CID 173552056
tert-butyl-dimethyl-[(4R,6R,8S)-6,8,9,9-tetramethyldec-1-en-4-yl]oxysilane
CID 173673506
tert-butyl-[2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]ethoxy]-dimethylsilane
CID 10519906

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethenylcyclohexyl)-3-methylpent-4-en-2-yl]oxy-diethoxy-ethylsilane?
The IUPAC name of [3-(2-ethenylcyclohexyl)-3-methylpent-4-en-2-yl]oxy-diethoxy-ethylsilane (CID 154697545) is [3-(2-ethenylcyclohexyl)-3-methylpent-4-en-2-yl]oxy-diethoxy-ethylsilane.
What is the SMILES notation for [3-(2-ethenylcyclohexyl)-3-methylpent-4-en-2-yl]oxy-diethoxy-ethylsilane?
The canonical SMILES for [3-(2-ethenylcyclohexyl)-3-methylpent-4-en-2-yl]oxy-diethoxy-ethylsilane is C=CC1CCCCC1C(C)(C=C)C(C)O[Si](CC)(OCC)OCC.
What is the InChIKey of [3-(2-ethenylcyclohexyl)-3-methylpent-4-en-2-yl]oxy-diethoxy-ethylsilane?
The InChIKey is FPAYDUPHJWPVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-8-18-15-13-14-16-19(18)20(7,9-2)17(6)23-24(12-5,21-10-3)22-11-4/h8-9,17-19H,1-2,10-16H2,3-7H3.
What are the key properties of [3-(2-ethenylcyclohexyl)-3-methylpent-4-en-2-yl]oxy-diethoxy-ethylsilane?
[3-(2-ethenylcyclohexyl)-3-methylpent-4-en-2-yl]oxy-diethoxy-ethylsilane has a molecular weight of 354.61 g/mol, XLogP of 5.61, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethenylcyclohexyl)-3-methylpent-4-en-2-yl]oxy-diethoxy-ethylsilane is sourced from PubChem (CID 154697545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).