ethyl 1-[(E)-5-trimethylsilylpent-3-enyl]cyclohexane-1-carboxylate

C17H32O2Si — CID 11558443

IUPACethyl 1-[(E)-5-trimethylsilylpent-3-enyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(CC/C=C/C[Si](C)(C)C)CCCCC1
InChIInChI=1S/C17H32O2Si/c1-5-19-16(18)17(12-8-6-9-13-17)14-10-7-11-15-20(2,3)4/h7,11H,5-6,8-10,12-15H2,1-4H3/b11-7+
InChIKeyNDXGJZPWQAWSBV-YRNVUSSQSA-N
MW296.53 g/mol
LogP5.17
Rot. Bonds7

About ethyl 1-[(E)-5-trimethylsilylpent-3-enyl]cyclohexane-1-carboxylate

ethyl 1-[(E)-5-trimethylsilylpent-3-enyl]cyclohexane-1-carboxylate (PubChem CID 11558443) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is ethyl 1-[(E)-5-trimethylsilylpent-3-enyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(E)-5-trimethylsilylpent-3-enyl]cyclohexane-1-carboxylate
PubChem CID11558443
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Nameethyl 1-[(E)-5-trimethylsilylpent-3-enyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(CC/C=C/C[Si](C)(C)C)CCCCC1
InChIInChI=1S/C17H32O2Si/c1-5-19-16(18)17(12-8-6-9-13-17)14-10-7-11-15-20(2,3)4/h7,11H,5-6,8-10,12-15H2,1-4H3/b11-7+
InChIKeyNDXGJZPWQAWSBV-YRNVUSSQSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-penten-1-yl)-, 2-methylpropyl ester
CID 175120
3-Cyclohexene-1-carboxylic acid, 1-methyl-3-(4-methyl-3-penten-1-yl)-, 2-methylpropyl ester
CID 175121
3,5,5-Trimethylhexyl oleate
CID 6433027
methyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-2-en-1-yl]acetate
CID 11109321
ethyl 2-[(1R,2R)-4,4-dimethyl-2-[(E)-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
CID 14608161
Ethyl 1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-4-methylcyclohex-3-ene-1-carboxylate
CID 49871243
methyl 2-[(1R,4S)-2-butyl-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-2-en-1-yl]acetate
CID 101050724
methyl (Z)-3-cyclohexyl-2-trimethylsilyloct-3-enoate
CID 102203796
methyl (Z)-3-cyclohexyl-2-trimethylsilyltridec-3-enoate
CID 102203797
methyl (3Z)-3-cyclohexyl-2-trimethylsilyltetradeca-3,13-dienoate
CID 102203799
methyl (E)-3,3-dimethyl-6-trimethylsilylnon-7-enoate
CID 102450626
methyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-2-en-1-yl]acetate
CID 134983703

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(E)-5-trimethylsilylpent-3-enyl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-[(E)-5-trimethylsilylpent-3-enyl]cyclohexane-1-carboxylate (CID 11558443) is ethyl 1-[(E)-5-trimethylsilylpent-3-enyl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(E)-5-trimethylsilylpent-3-enyl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-[(E)-5-trimethylsilylpent-3-enyl]cyclohexane-1-carboxylate is CCOC(=O)C1(CC/C=C/C[Si](C)(C)C)CCCCC1.
What is the InChIKey of ethyl 1-[(E)-5-trimethylsilylpent-3-enyl]cyclohexane-1-carboxylate?
The InChIKey is NDXGJZPWQAWSBV-YRNVUSSQSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-5-19-16(18)17(12-8-6-9-13-17)14-10-7-11-15-20(2,3)4/h7,11H,5-6,8-10,12-15H2,1-4H3/b11-7+.
What are the key properties of ethyl 1-[(E)-5-trimethylsilylpent-3-enyl]cyclohexane-1-carboxylate?
ethyl 1-[(E)-5-trimethylsilylpent-3-enyl]cyclohexane-1-carboxylate has a molecular weight of 296.53 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(E)-5-trimethylsilylpent-3-enyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 11558443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).