2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone

C17H30O — CID 114967627

IUPAC2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone
SMILESCC(C)CC1(C(=O)CC2CCCCC2)CCCC1
InChIInChI=1S/C17H30O/c1-14(2)13-17(10-6-7-11-17)16(18)12-15-8-4-3-5-9-15/h14-15H,3-13H2,1-2H3
InChIKeyIOWOEXAFTNNYBE-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.13
Rot. Bonds5

About 2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone

2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone (PubChem CID 114967627) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone
PubChem CID114967627
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone
SMILESCC(C)CC1(C(=O)CC2CCCCC2)CCCC1
InChIInChI=1S/C17H30O/c1-14(2)13-17(10-6-7-11-17)16(18)12-15-8-4-3-5-9-15/h14-15H,3-13H2,1-2H3
InChIKeyIOWOEXAFTNNYBE-UHFFFAOYSA-N
XLogP5.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-(1-ethylcyclopentyl)ethanone
CID 114967656
1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone
CID 116602062
2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one
CID 58210371
1-[1-(aminomethyl)cyclopentyl]-2-cyclopropylethanone
CID 116601042
2-cyclobutyl-1-(1-methylcyclohexyl)ethanone
CID 106829597
2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982112
2-cyclohexyl-1-(4-ethylpiperidin-4-yl)ethanone
CID 116568088
methyl 1-(2-methylpropyl)cyclohexane-1-carboxylate
CID 125474845
(3-ethylcyclohexyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114976433
1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one
CID 114964885
2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone
CID 104610038
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
CID 80550886

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone (CID 114967627) is 2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone is CC(C)CC1(C(=O)CC2CCCCC2)CCCC1.
What is the InChIKey of 2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone?
The InChIKey is IOWOEXAFTNNYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-14(2)13-17(10-6-7-11-17)16(18)12-15-8-4-3-5-9-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone?
2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone has a molecular weight of 250.43 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone is sourced from PubChem (CID 114967627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).