3-[(E)-3-methoxyoct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one

C17H30O2Si — CID 5376391

IUPAC3-[(E)-3-methoxyoct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one
SMILESCCCCCC(/C=C/C1=C([Si](C)(C)C)C(=O)CC1)OC
InChIInChI=1S/C17H30O2Si/c1-6-7-8-9-15(19-2)12-10-14-11-13-16(18)17(14)20(3,4)5/h10,12,15H,6-9,11,13H2,1-5H3/b12-10+
InChIKeyVJHYVAOVQDFHPF-ZRDIBKRKSA-N
MW294.51 g/mol
LogP4.67
Rot. Bonds8

About 3-[(E)-3-methoxyoct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one

3-[(E)-3-methoxyoct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one (PubChem CID 5376391) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is 3-[(E)-3-methoxyoct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(E)-3-methoxyoct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one
PubChem CID5376391
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name3-[(E)-3-methoxyoct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one
SMILESCCCCCC(/C=C/C1=C([Si](C)(C)C)C(=O)CC1)OC
InChIInChI=1S/C17H30O2Si/c1-6-7-8-9-15(19-2)12-10-14-11-13-16(18)17(14)20(3,4)5/h10,12,15H,6-9,11,13H2,1-5H3/b12-10+
InChIKeyVJHYVAOVQDFHPF-ZRDIBKRKSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.67
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'}

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Related Compounds

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-one
CID 46919446
methyl (E)-7-[5-oxo-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoate
CID 5378947
ethyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate
CID 10249234
3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one
CID 10427154
Prosta-5,8(12),13-trien-1-oic acid, 15-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-9-oxo-, methyl ester, (5Z,13E,15S)-
CID 91697027
Prosta-5,8(12),13-trien-1-oic acid, 15-[(dimethylsilyl)oxy]-9-oxo-, methyl ester, (5Z,13E,15S)-
CID 91741858
Prosta-5,8(12),13-trien-1-oic acid, 9-oxo-15-[(trimethylsilyl)oxy]-, methyl ester, (5Z,13E,15S)-
CID 91742468
4-[(2-Methylpropan-2-yl)oxy]-2-(2-trimethylsilylnon-2-enyl)cyclopent-2-en-1-one
CID 54347276
4-[(2-methylpropan-2-yl)oxy]-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one
CID 59966371
methyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxybut-1-enyl]cyclopentene-1-carboxylate
CID 71250203
methyl 2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopentene-1-carboxylate
CID 173678677
Methyl (5E,13E)-9-oxo-15-[(trimethylsilyl)oxy]prosta-5,8(12),13-trien-1-oate
CID 629384

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-methoxyoct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one?
The IUPAC name of 3-[(E)-3-methoxyoct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one (CID 5376391) is 3-[(E)-3-methoxyoct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one.
What is the SMILES notation for 3-[(E)-3-methoxyoct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one?
The canonical SMILES for 3-[(E)-3-methoxyoct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one is CCCCCC(/C=C/C1=C([Si](C)(C)C)C(=O)CC1)OC.
What is the InChIKey of 3-[(E)-3-methoxyoct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one?
The InChIKey is VJHYVAOVQDFHPF-ZRDIBKRKSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-6-7-8-9-15(19-2)12-10-14-11-13-16(18)17(14)20(3,4)5/h10,12,15H,6-9,11,13H2,1-5H3/b12-10+.
What are the key properties of 3-[(E)-3-methoxyoct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one?
3-[(E)-3-methoxyoct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one has a molecular weight of 294.51 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-methoxyoct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one is sourced from PubChem (CID 5376391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).