2-(1-cyclohexylethyl)cyclopentan-1-one

C13H22O — CID 59616208

IUPAC2-(1-cyclohexylethyl)cyclopentan-1-one
SMILESCC(C1CCCCC1)C1CCCC1=O
InChIInChI=1S/C13H22O/c1-10(11-6-3-2-4-7-11)12-8-5-9-13(12)14/h10-12H,2-9H2,1H3
InChIKeyBQDQIOVBUXNHGB-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.57
Rot. Bonds2

About 2-(1-cyclohexylethyl)cyclopentan-1-one

2-(1-cyclohexylethyl)cyclopentan-1-one (PubChem CID 59616208) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-(1-cyclohexylethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(1-cyclohexylethyl)cyclopentan-1-one
PubChem CID59616208
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-(1-cyclohexylethyl)cyclopentan-1-one
SMILESCC(C1CCCCC1)C1CCCC1=O
InChIInChI=1S/C13H22O/c1-10(11-6-3-2-4-7-11)12-8-5-9-13(12)14/h10-12H,2-9H2,1H3
InChIKeyBQDQIOVBUXNHGB-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-bromoethyl)cyclopentan-1-one
CID 174906368
2-(1-nitrosoethyl)cyclotridecan-1-one
CID 91250049
2-(4-hydroxybutan-2-yl)cycloheptan-1-one
CID 130126460
1-cyclopentylethylcyclohexane
CID 57034702
(2S)-2-butan-2-ylcyclopentan-1-one
CID 89019015
(2S)-2-[(2R)-but-3-en-2-yl]cyclopentan-1-one
CID 134840433
(2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one
CID 6992619
2-(difluoromethyl)cyclopentan-1-one
CID 84716145
methyl 2-(2-oxocycloheptyl)propanoate
CID 70625293
2-[hydroxy(methoxy)methyl]cycloheptan-1-one
CID 123902559
(2S)-2-(dimethoxymethyl)cyclohexan-1-one
CID 92982538
(2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one
CID 134987764

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylethyl)cyclopentan-1-one?
The IUPAC name of 2-(1-cyclohexylethyl)cyclopentan-1-one (CID 59616208) is 2-(1-cyclohexylethyl)cyclopentan-1-one.
What is the SMILES notation for 2-(1-cyclohexylethyl)cyclopentan-1-one?
The canonical SMILES for 2-(1-cyclohexylethyl)cyclopentan-1-one is CC(C1CCCCC1)C1CCCC1=O.
What is the InChIKey of 2-(1-cyclohexylethyl)cyclopentan-1-one?
The InChIKey is BQDQIOVBUXNHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-10(11-6-3-2-4-7-11)12-8-5-9-13(12)14/h10-12H,2-9H2,1H3.
What are the key properties of 2-(1-cyclohexylethyl)cyclopentan-1-one?
2-(1-cyclohexylethyl)cyclopentan-1-one has a molecular weight of 194.32 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylethyl)cyclopentan-1-one is sourced from PubChem (CID 59616208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).