5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one

C19H22O — CID 102142065

IUPAC5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one
SMILESCC1=C(C)C(c2ccccc2)C(=C2CCCCC2)C1=O
InChIInChI=1S/C19H22O/c1-13-14(2)19(20)18(16-11-7-4-8-12-16)17(13)15-9-5-3-6-10-15/h3,5-6,9-10,17H,4,7-8,11-12H2,1-2H3
InChIKeyHNFOJPRVYABYCY-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.95
Rot. Bonds1

About 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one

5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one (PubChem CID 102142065) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one
PubChem CID102142065
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one
SMILESCC1=C(C)C(c2ccccc2)C(=C2CCCCC2)C1=O
InChIInChI=1S/C19H22O/c1-13-14(2)19(20)18(16-11-7-4-8-12-16)17(13)15-9-5-3-6-10-15/h3,5-6,9-10,17H,4,7-8,11-12H2,1-2H3
InChIKeyHNFOJPRVYABYCY-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one?
The IUPAC name of 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one (CID 102142065) is 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one?
The canonical SMILES for 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one is CC1=C(C)C(c2ccccc2)C(=C2CCCCC2)C1=O.
What is the InChIKey of 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one?
The InChIKey is HNFOJPRVYABYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-13-14(2)19(20)18(16-11-7-4-8-12-16)17(13)15-9-5-3-6-10-15/h3,5-6,9-10,17H,4,7-8,11-12H2,1-2H3.
What are the key properties of 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one?
5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one has a molecular weight of 266.38 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylidene-2,3-dimethyl-4-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 102142065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).