2-methyl-3-[(E)-2-trimethylsilylbut-1-enyl]cyclopent-2-en-1-one

C13H22OSi — CID 139263854

IUPAC2-methyl-3-[(E)-2-trimethylsilylbut-1-enyl]cyclopent-2-en-1-one
SMILESCC/C(=C\C1=C(C)C(=O)CC1)[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-6-12(15(3,4)5)9-11-7-8-13(14)10(11)2/h9H,6-8H2,1-5H3/b12-9+
InChIKeyWUUWFLMDNVSDGK-FMIVXFBMSA-N
MW222.40 g/mol
LogP3.88
Rot. Bonds3

About 2-methyl-3-[(E)-2-trimethylsilylbut-1-enyl]cyclopent-2-en-1-one

2-methyl-3-[(E)-2-trimethylsilylbut-1-enyl]cyclopent-2-en-1-one (PubChem CID 139263854) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is 2-methyl-3-[(E)-2-trimethylsilylbut-1-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-methyl-3-[(E)-2-trimethylsilylbut-1-enyl]cyclopent-2-en-1-one
PubChem CID139263854
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name2-methyl-3-[(E)-2-trimethylsilylbut-1-enyl]cyclopent-2-en-1-one
SMILESCC/C(=C\C1=C(C)C(=O)CC1)[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-6-12(15(3,4)5)9-11-7-8-13(14)10(11)2/h9H,6-8H2,1-5H3/b12-9+
InChIKeyWUUWFLMDNVSDGK-FMIVXFBMSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(E)-2-trimethylsilylbut-1-enyl]cyclopent-2-en-1-one?
The IUPAC name of 2-methyl-3-[(E)-2-trimethylsilylbut-1-enyl]cyclopent-2-en-1-one (CID 139263854) is 2-methyl-3-[(E)-2-trimethylsilylbut-1-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for 2-methyl-3-[(E)-2-trimethylsilylbut-1-enyl]cyclopent-2-en-1-one?
The canonical SMILES for 2-methyl-3-[(E)-2-trimethylsilylbut-1-enyl]cyclopent-2-en-1-one is CC/C(=C\C1=C(C)C(=O)CC1)[Si](C)(C)C.
What is the InChIKey of 2-methyl-3-[(E)-2-trimethylsilylbut-1-enyl]cyclopent-2-en-1-one?
The InChIKey is WUUWFLMDNVSDGK-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H22OSi/c1-6-12(15(3,4)5)9-11-7-8-13(14)10(11)2/h9H,6-8H2,1-5H3/b12-9+.
What are the key properties of 2-methyl-3-[(E)-2-trimethylsilylbut-1-enyl]cyclopent-2-en-1-one?
2-methyl-3-[(E)-2-trimethylsilylbut-1-enyl]cyclopent-2-en-1-one has a molecular weight of 222.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(E)-2-trimethylsilylbut-1-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 139263854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).