2-(3,4-dimethylcyclohexyl)cyclopentan-1-one

C13H22O — CID 64737860

IUPAC2-(3,4-dimethylcyclohexyl)cyclopentan-1-one
SMILESCC1CCC(C2CCCC2=O)CC1C
InChIInChI=1S/C13H22O/c1-9-6-7-11(8-10(9)2)12-4-3-5-13(12)14/h9-12H,3-8H2,1-2H3
InChIKeyDAPQUWFCCRECLZ-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.43
Rot. Bonds1

About 2-(3,4-dimethylcyclohexyl)cyclopentan-1-one

2-(3,4-dimethylcyclohexyl)cyclopentan-1-one (PubChem CID 64737860) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)cyclopentan-1-one
PubChem CID64737860
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-(3,4-dimethylcyclohexyl)cyclopentan-1-one
SMILESCC1CCC(C2CCCC2=O)CC1C
InChIInChI=1S/C13H22O/c1-9-6-7-11(8-10(9)2)12-4-3-5-13(12)14/h9-12H,3-8H2,1-2H3
InChIKeyDAPQUWFCCRECLZ-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3,4-dimethylcyclohexyl)cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexan-1-one
CID 79416622
(1S,6R)-bicyclo[4.1.0]heptan-2-one
CID 10920468
(3aS,7aR)-1-methyl-1,2,3,3a,5,6,7,7a-octahydroinden-4-one
CID 10534861
3,4,4a,5,7,8,9,9a-octahydro-2H-benzo[7]annulene-1,6-dione
CID 13403967
2-cyclopent-3-en-1-ylcyclopentan-1-one
CID 130031088
7-methyl-2,3,4,4a,5,6,7,8,9,10a-decahydro-1H-benzo[8]annulen-10-one
CID 91003548
(8S)-bicyclo[6.1.0]nonan-2-one
CID 90487048
(3aR,10aS)-2,3,3a,5,6,7,8,9,10,10a-decahydro-1H-cyclopenta[9]annulen-4-one
CID 102063189
bicyclo[13.1.0]hexadecan-2-one
CID 543951
bicyclo[3.2.0]heptan-2-one
CID 543759
(4aR,8R,8aS)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
CID 14970656
8-acetyl-1-methyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-one
CID 4193505

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)cyclopentan-1-one?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)cyclopentan-1-one (CID 64737860) is 2-(3,4-dimethylcyclohexyl)cyclopentan-1-one.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)cyclopentan-1-one?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)cyclopentan-1-one is CC1CCC(C2CCCC2=O)CC1C.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)cyclopentan-1-one?
The InChIKey is DAPQUWFCCRECLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-9-6-7-11(8-10(9)2)12-4-3-5-13(12)14/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)cyclopentan-1-one?
2-(3,4-dimethylcyclohexyl)cyclopentan-1-one has a molecular weight of 194.32 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)cyclopentan-1-one is sourced from PubChem (CID 64737860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).