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

C16H28OSi — CID 5374686

IUPAC3-[(E)-oct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one
SMILESCCCCCC/C=C/C1=C([Si](C)(C)C)C(=O)CC1
InChIInChI=1S/C16H28OSi/c1-5-6-7-8-9-10-11-14-12-13-15(17)16(14)18(2,3)4/h10-11H,5-9,12-13H2,1-4H3/b11-10+
InChIKeySLVNYTSLAOHTNH-ZHACJKMWSA-N
MW264.48 g/mol
LogP5.05
Rot. Bonds7

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

3-[(E)-oct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one (PubChem CID 5374686) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is 3-[(E)-oct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(E)-oct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one
PubChem CID5374686
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Name3-[(E)-oct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one
SMILESCCCCCC/C=C/C1=C([Si](C)(C)C)C(=O)CC1
InChIInChI=1S/C16H28OSi/c1-5-6-7-8-9-10-11-14-12-13-15(17)16(14)18(2,3)4/h10-11H,5-9,12-13H2,1-4H3/b11-10+
InChIKeySLVNYTSLAOHTNH-ZHACJKMWSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.48
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Falconensone B
CID 10780283
3-(2,10-Dimethyl-11-oxododeca-1,3,5,7,9-pentaenyl)-2-methylcyclopent-2-en-1-one
CID 85265516
2-[(E)-hex-1-enyl]-3-methylcyclopent-2-en-1-one
CID 14060396
(E)-1-(cyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one
CID 12935868
(E)-1-[(1E)-cyclododecen-1-yl]-3-trimethylsilylprop-2-en-1-one
CID 13212265
4-Methylidene-3-trimethylsilylcyclohex-2-en-1-one
CID 102280034
4-Butyl-2,3-dipropyl-5-trimethylsilylcyclopenta-2,4-dien-1-one
CID 10803616
2-Cyclopenten-1-one, 3-methyl-2-(1,3-pentadienyl)-, (E,Z)-
CID 5373802
3-methyl-2-[(1E,3Z)-penta-1,3-dienyl]cyclopent-2-en-1-one
CID 12304297
3-methyl-2-[(E)-pent-1-enyl]cyclopent-2-en-1-one
CID 12856959
3-(Trimethylsilylmethyl)cyclohex-2-en-1-one
CID 11458065
(6S)-2-methyl-6-triethylsilylcyclohex-2-en-1-one
CID 11564827

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-oct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one?
The IUPAC name of 3-[(E)-oct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one (CID 5374686) is 3-[(E)-oct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one.
What is the SMILES notation for 3-[(E)-oct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one?
The canonical SMILES for 3-[(E)-oct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one is CCCCCC/C=C/C1=C([Si](C)(C)C)C(=O)CC1.
What is the InChIKey of 3-[(E)-oct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one?
The InChIKey is SLVNYTSLAOHTNH-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H28OSi/c1-5-6-7-8-9-10-11-14-12-13-15(17)16(14)18(2,3)4/h10-11H,5-9,12-13H2,1-4H3/b11-10+.
What are the key properties of 3-[(E)-oct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one?
3-[(E)-oct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one has a molecular weight of 264.48 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-oct-1-enyl]-2-trimethylsilylcyclopent-2-en-1-one is sourced from PubChem (CID 5374686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).