cyclopentyl-(3,4-dimethylcyclohexyl)methanone

C14H24O — CID 64739226

IUPACcyclopentyl-(3,4-dimethylcyclohexyl)methanone
SMILESCC1CCC(C(=O)C2CCCC2)CC1C
InChIInChI=1S/C14H24O/c1-10-7-8-13(9-11(10)2)14(15)12-5-3-4-6-12/h10-13H,3-9H2,1-2H3
InChIKeyANMCXLAQBPUAKQ-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.82
Rot. Bonds2

About cyclopentyl-(3,4-dimethylcyclohexyl)methanone

cyclopentyl-(3,4-dimethylcyclohexyl)methanone (PubChem CID 64739226) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is cyclopentyl-(3,4-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Namecyclopentyl-(3,4-dimethylcyclohexyl)methanone
PubChem CID64739226
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Namecyclopentyl-(3,4-dimethylcyclohexyl)methanone
SMILESCC1CCC(C(=O)C2CCCC2)CC1C
InChIInChI=1S/C14H24O/c1-10-7-8-13(9-11(10)2)14(15)12-5-3-4-6-12/h10-13H,3-9H2,1-2H3
InChIKeyANMCXLAQBPUAKQ-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone
CID 116587119
cycloheptyl-(3-methylcyclopentyl)methanone
CID 82931083
(3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105105272
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3,4-dimethylcyclohexyl)methanone
CID 116549198
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclohexyl)methanone
CID 114962205
di(cyclobutyl)methanone
CID 15444458
2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone
CID 103167882
cyclopentyl-[(1R,3R)-3-[fluoro(dimethyl)silyl]cyclopentyl]methanone
CID 10562164
1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoroethanone
CID 64738824
2-amino-1-(3,4-dimethylcyclohexyl)ethanone
CID 116548380
dicyclohexylmethanone;formaldehyde
CID 175300134
(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methanone
CID 65350949

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(3,4-dimethylcyclohexyl)methanone?
The IUPAC name of cyclopentyl-(3,4-dimethylcyclohexyl)methanone (CID 64739226) is cyclopentyl-(3,4-dimethylcyclohexyl)methanone.
What is the SMILES notation for cyclopentyl-(3,4-dimethylcyclohexyl)methanone?
The canonical SMILES for cyclopentyl-(3,4-dimethylcyclohexyl)methanone is CC1CCC(C(=O)C2CCCC2)CC1C.
What is the InChIKey of cyclopentyl-(3,4-dimethylcyclohexyl)methanone?
The InChIKey is ANMCXLAQBPUAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-10-7-8-13(9-11(10)2)14(15)12-5-3-4-6-12/h10-13H,3-9H2,1-2H3.
What are the key properties of cyclopentyl-(3,4-dimethylcyclohexyl)methanone?
cyclopentyl-(3,4-dimethylcyclohexyl)methanone has a molecular weight of 208.34 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(3,4-dimethylcyclohexyl)methanone is sourced from PubChem (CID 64739226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).