(5S)-3-ethenyl-5-methyl-5-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopent-2-en-1-one

C15H24OSi — CID 134925456

IUPAC(5S)-3-ethenyl-5-methyl-5-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopent-2-en-1-one
SMILESC=CC1=CC(=O)[C@](C)(CC(=C)C[Si](C)(C)C)C1
InChIInChI=1S/C15H24OSi/c1-7-13-8-14(16)15(3,10-13)9-12(2)11-17(4,5)6/h7-8H,1-2,9-11H2,3-6H3/t15-/m1/s1
InChIKeyNYZGQKHXUVDKIB-OAHLLOKOSA-N
MW248.44 g/mol
LogP4.36
Rot. Bonds5

About (5S)-3-ethenyl-5-methyl-5-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopent-2-en-1-one

(5S)-3-ethenyl-5-methyl-5-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopent-2-en-1-one (PubChem CID 134925456) has the molecular formula C15H24OSi and a molecular weight of 248.44 g/mol. Its IUPAC name is (5S)-3-ethenyl-5-methyl-5-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(5S)-3-ethenyl-5-methyl-5-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopent-2-en-1-one
PubChem CID134925456
Molecular FormulaC15H24OSi
Molecular Weight248.44 g/mol
Exact Mass248.16
IUPAC Name(5S)-3-ethenyl-5-methyl-5-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopent-2-en-1-one
SMILESC=CC1=CC(=O)[C@](C)(CC(=C)C[Si](C)(C)C)C1
InChIInChI=1S/C15H24OSi/c1-7-13-8-14(16)15(3,10-13)9-12(2)11-17(4,5)6/h7-8H,1-2,9-11H2,3-6H3/t15-/m1/s1
InChIKeyNYZGQKHXUVDKIB-OAHLLOKOSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-ethenyl-5-methyl-5-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopent-2-en-1-one?
The IUPAC name of (5S)-3-ethenyl-5-methyl-5-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopent-2-en-1-one (CID 134925456) is (5S)-3-ethenyl-5-methyl-5-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for (5S)-3-ethenyl-5-methyl-5-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopent-2-en-1-one?
The canonical SMILES for (5S)-3-ethenyl-5-methyl-5-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopent-2-en-1-one is C=CC1=CC(=O)[C@](C)(CC(=C)C[Si](C)(C)C)C1.
What is the InChIKey of (5S)-3-ethenyl-5-methyl-5-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopent-2-en-1-one?
The InChIKey is NYZGQKHXUVDKIB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24OSi/c1-7-13-8-14(16)15(3,10-13)9-12(2)11-17(4,5)6/h7-8H,1-2,9-11H2,3-6H3/t15-/m1/s1.
What are the key properties of (5S)-3-ethenyl-5-methyl-5-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopent-2-en-1-one?
(5S)-3-ethenyl-5-methyl-5-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopent-2-en-1-one has a molecular weight of 248.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-ethenyl-5-methyl-5-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 134925456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).