2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone

C14H24O2 — CID 103450673

IUPAC2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone
SMILESCC1CCC(O)(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C14H24O2/c1-11-6-8-14(16,9-7-11)13(15)10-12-4-2-3-5-12/h11-12,16H,2-10H2,1H3
InChIKeyYNVIVRXKJBDPCL-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.08
Rot. Bonds3

About 2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone

2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone (PubChem CID 103450673) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone
PubChem CID103450673
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone
SMILESCC1CCC(O)(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C14H24O2/c1-11-6-8-14(16,9-7-11)13(15)10-12-4-2-3-5-12/h11-12,16H,2-10H2,1H3
InChIKeyYNVIVRXKJBDPCL-UHFFFAOYSA-N
XLogP3.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 54078464
2-cyclobutyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 103164693
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide
CID 114304300
2-cyclopentyl-1-(4-methylcyclohexyl)ethanone
CID 62621954
2-cyclopentyl-1-(1-methoxycyclopentyl)ethanone
CID 104610038
2-cyclopropyl-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749129
2-cyclohexyl-1-(1-ethylcyclopentyl)ethanone
CID 114967656
2-cyclobutyl-1-(1-methylcyclohexyl)ethanone
CID 106829597
N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide
CID 61121520
1-(1-hydroxy-4-methylcyclohexyl)hex-5-yn-1-one
CID 103450893
1-(1-hydroxycycloheptyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 103450370
2-cyclobutyl-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749721

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone (CID 103450673) is 2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone is CC1CCC(O)(C(=O)CC2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The InChIKey is YNVIVRXKJBDPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11-6-8-14(16,9-7-11)13(15)10-12-4-2-3-5-12/h11-12,16H,2-10H2,1H3.
What are the key properties of 2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone has a molecular weight of 224.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(1-hydroxy-4-methylcyclohexyl)ethanone is sourced from PubChem (CID 103450673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).