[2-(2-ethenylcyclohexyl)-2-methylbut-3-enoxy]-ethyl-dimethoxysilane

C17H32O3Si — CID 154697544

IUPAC[2-(2-ethenylcyclohexyl)-2-methylbut-3-enoxy]-ethyl-dimethoxysilane
SMILESC=CC1CCCCC1C(C)(C=C)CO[Si](CC)(OC)OC
InChIInChI=1S/C17H32O3Si/c1-7-15-12-10-11-13-16(15)17(4,8-2)14-20-21(9-3,18-5)19-6/h7-8,15-16H,1-2,9-14H2,3-6H3
InChIKeySJCUPBPGWVLKDU-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.44
Rot. Bonds9

About [2-(2-ethenylcyclohexyl)-2-methylbut-3-enoxy]-ethyl-dimethoxysilane

[2-(2-ethenylcyclohexyl)-2-methylbut-3-enoxy]-ethyl-dimethoxysilane (PubChem CID 154697544) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is [2-(2-ethenylcyclohexyl)-2-methylbut-3-enoxy]-ethyl-dimethoxysilane.

Molecular Properties

Compound Name[2-(2-ethenylcyclohexyl)-2-methylbut-3-enoxy]-ethyl-dimethoxysilane
PubChem CID154697544
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name[2-(2-ethenylcyclohexyl)-2-methylbut-3-enoxy]-ethyl-dimethoxysilane
SMILESC=CC1CCCCC1C(C)(C=C)CO[Si](CC)(OC)OC
InChIInChI=1S/C17H32O3Si/c1-7-15-12-10-11-13-16(15)17(4,8-2)14-20-21(9-3,18-5)19-6/h7-8,15-16H,1-2,9-14H2,3-6H3
InChIKeySJCUPBPGWVLKDU-UHFFFAOYSA-N
XLogP4.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.44
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
Tert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane
CID 46185276
tert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane
CID 139263604
[(6R)-6-cyclohexyloct-7-enoxy]-tri(propan-2-yl)silane
CID 176426908
[2-Ethenyl-6-methyl-2-(4-methylpent-4-enyl)hept-6-enoxy]-triethylsilane
CID 10545841
2-Cyclohexylhex-5-enyl(triethoxy)silane
CID 20026947
tert-butyl-[[(1S,2S)-2-ethenylcyclohexyl]methoxy]-dimethylsilane
CID 22854363
tert-butyl-[[(1R,2S)-2-ethenylcyclohexyl]methoxy]-dimethylsilane
CID 22854368
[1-(Allylcyclohexyl)methoxy]triethylsilane
CID 23021184
2-[1,2-Bis(ethenyl)cyclohexyl]ethyl-triethoxysilane
CID 66694493
(2-Triethoxysilylethyl)divinylcyclohexane
CID 66694494
3-Cyclohexylhept-6-en-2-yl(triethoxy)silane
CID 66694737

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethenylcyclohexyl)-2-methylbut-3-enoxy]-ethyl-dimethoxysilane?
The IUPAC name of [2-(2-ethenylcyclohexyl)-2-methylbut-3-enoxy]-ethyl-dimethoxysilane (CID 154697544) is [2-(2-ethenylcyclohexyl)-2-methylbut-3-enoxy]-ethyl-dimethoxysilane.
What is the SMILES notation for [2-(2-ethenylcyclohexyl)-2-methylbut-3-enoxy]-ethyl-dimethoxysilane?
The canonical SMILES for [2-(2-ethenylcyclohexyl)-2-methylbut-3-enoxy]-ethyl-dimethoxysilane is C=CC1CCCCC1C(C)(C=C)CO[Si](CC)(OC)OC.
What is the InChIKey of [2-(2-ethenylcyclohexyl)-2-methylbut-3-enoxy]-ethyl-dimethoxysilane?
The InChIKey is SJCUPBPGWVLKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-7-15-12-10-11-13-16(15)17(4,8-2)14-20-21(9-3,18-5)19-6/h7-8,15-16H,1-2,9-14H2,3-6H3.
What are the key properties of [2-(2-ethenylcyclohexyl)-2-methylbut-3-enoxy]-ethyl-dimethoxysilane?
[2-(2-ethenylcyclohexyl)-2-methylbut-3-enoxy]-ethyl-dimethoxysilane has a molecular weight of 312.53 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethenylcyclohexyl)-2-methylbut-3-enoxy]-ethyl-dimethoxysilane is sourced from PubChem (CID 154697544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).