methyl (Z)-3-cyclohexyl-2-trimethylsilyloct-3-enoate

C18H34O2Si — CID 102203796

IUPACmethyl (Z)-3-cyclohexyl-2-trimethylsilyloct-3-enoate
SMILESCCCC/C=C(/C1CCCCC1)C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C18H34O2Si/c1-6-7-9-14-16(15-12-10-8-11-13-15)17(18(19)20-2)21(3,4)5/h14-15,17H,6-13H2,1-5H3/b16-14-
InChIKeyRAVIJAOAZSIPOB-PEZBUJJGSA-N
MW310.55 g/mol
LogP5.56
Rot. Bonds7

About methyl (Z)-3-cyclohexyl-2-trimethylsilyloct-3-enoate

methyl (Z)-3-cyclohexyl-2-trimethylsilyloct-3-enoate (PubChem CID 102203796) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is methyl (Z)-3-cyclohexyl-2-trimethylsilyloct-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-cyclohexyl-2-trimethylsilyloct-3-enoate
PubChem CID102203796
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Namemethyl (Z)-3-cyclohexyl-2-trimethylsilyloct-3-enoate
SMILESCCCC/C=C(/C1CCCCC1)C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C18H34O2Si/c1-6-7-9-14-16(15-12-10-8-11-13-15)17(18(19)20-2)21(3,4)5/h14-15,17H,6-13H2,1-5H3/b16-14-
InChIKeyRAVIJAOAZSIPOB-PEZBUJJGSA-N
XLogP5.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
N-[(E)-pentylideneamino]cyclohexanecarboxamide
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methyl 2-(cyclopentylamino)nonanoate
CID 54894298
methyl 2-(cyclohexylamino)-3-ethylpentanoate
CID 61318514
[(E)-3-cyclohexylbut-2-enyl] methyl carbonate
CID 11031157
ethyl 2-(cyclohexylamino)nonanoate
CID 63524115
methyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate
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methyl 2-acetyl-4-cyclobutyl-4-oxobutanoate
CID 165483450
pentyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 20836661
(Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-one
CID 11097438
1-cycloheptylpentan-1-one
CID 65399298
dimethyl 2-[(1R,2R)-2-butylcyclohexyl]propanedioate
CID 15491386

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-cyclohexyl-2-trimethylsilyloct-3-enoate?
The IUPAC name of methyl (Z)-3-cyclohexyl-2-trimethylsilyloct-3-enoate (CID 102203796) is methyl (Z)-3-cyclohexyl-2-trimethylsilyloct-3-enoate.
What is the SMILES notation for methyl (Z)-3-cyclohexyl-2-trimethylsilyloct-3-enoate?
The canonical SMILES for methyl (Z)-3-cyclohexyl-2-trimethylsilyloct-3-enoate is CCCC/C=C(/C1CCCCC1)C(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (Z)-3-cyclohexyl-2-trimethylsilyloct-3-enoate?
The InChIKey is RAVIJAOAZSIPOB-PEZBUJJGSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-6-7-9-14-16(15-12-10-8-11-13-15)17(18(19)20-2)21(3,4)5/h14-15,17H,6-13H2,1-5H3/b16-14-.
What are the key properties of methyl (Z)-3-cyclohexyl-2-trimethylsilyloct-3-enoate?
methyl (Z)-3-cyclohexyl-2-trimethylsilyloct-3-enoate has a molecular weight of 310.55 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-cyclohexyl-2-trimethylsilyloct-3-enoate is sourced from PubChem (CID 102203796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).