2-methyl-2-(4-methylcyclohex-2-en-1-yl)cyclopentan-1-one

C13H20O — CID 24976789

IUPAC2-methyl-2-(4-methylcyclohex-2-en-1-yl)cyclopentan-1-one
SMILESCC1C=CC(C2(C)CCCC2=O)CC1
InChIInChI=1S/C13H20O/c1-10-5-7-11(8-6-10)13(2)9-3-4-12(13)14/h5,7,10-11H,3-4,6,8-9H2,1-2H3
InChIKeyQRUIXUJCWJYBAR-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.35
Rot. Bonds1

About 2-methyl-2-(4-methylcyclohex-2-en-1-yl)cyclopentan-1-one

2-methyl-2-(4-methylcyclohex-2-en-1-yl)cyclopentan-1-one (PubChem CID 24976789) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-methyl-2-(4-methylcyclohex-2-en-1-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-methyl-2-(4-methylcyclohex-2-en-1-yl)cyclopentan-1-one
PubChem CID24976789
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-methyl-2-(4-methylcyclohex-2-en-1-yl)cyclopentan-1-one
SMILESCC1C=CC(C2(C)CCCC2=O)CC1
InChIInChI=1S/C13H20O/c1-10-5-7-11(8-6-10)13(2)9-3-4-12(13)14/h5,7,10-11H,3-4,6,8-9H2,1-2H3
InChIKeyQRUIXUJCWJYBAR-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2,5-dimethyl-2-[3-methyl-3-(4-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]cyclohex-3-ene-1-thiol
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CID 130834325
(1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylcyclohex-2-en-1-yl)cyclopentan-1-one?
The IUPAC name of 2-methyl-2-(4-methylcyclohex-2-en-1-yl)cyclopentan-1-one (CID 24976789) is 2-methyl-2-(4-methylcyclohex-2-en-1-yl)cyclopentan-1-one.
What is the SMILES notation for 2-methyl-2-(4-methylcyclohex-2-en-1-yl)cyclopentan-1-one?
The canonical SMILES for 2-methyl-2-(4-methylcyclohex-2-en-1-yl)cyclopentan-1-one is CC1C=CC(C2(C)CCCC2=O)CC1.
What is the InChIKey of 2-methyl-2-(4-methylcyclohex-2-en-1-yl)cyclopentan-1-one?
The InChIKey is QRUIXUJCWJYBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-10-5-7-11(8-6-10)13(2)9-3-4-12(13)14/h5,7,10-11H,3-4,6,8-9H2,1-2H3.
What are the key properties of 2-methyl-2-(4-methylcyclohex-2-en-1-yl)cyclopentan-1-one?
2-methyl-2-(4-methylcyclohex-2-en-1-yl)cyclopentan-1-one has a molecular weight of 192.30 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylcyclohex-2-en-1-yl)cyclopentan-1-one is sourced from PubChem (CID 24976789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).