2,2-bis(1-hydroxyethyl)cyclopentan-1-one

C9H16O3 — CID 130030109

IUPAC2,2-bis(1-hydroxyethyl)cyclopentan-1-one
SMILESCC(O)C1(C(C)O)CCCC1=O
InChIInChI=1S/C9H16O3/c1-6(10)9(7(2)11)5-3-4-8(9)12/h6-7,10-11H,3-5H2,1-2H3
InChIKeyOMUZCBOOVJDKGD-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.49
Rot. Bonds2

About 2,2-bis(1-hydroxyethyl)cyclopentan-1-one

2,2-bis(1-hydroxyethyl)cyclopentan-1-one (PubChem CID 130030109) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2,2-bis(1-hydroxyethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2,2-bis(1-hydroxyethyl)cyclopentan-1-one
PubChem CID130030109
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2,2-bis(1-hydroxyethyl)cyclopentan-1-one
SMILESCC(O)C1(C(C)O)CCCC1=O
InChIInChI=1S/C9H16O3/c1-6(10)9(7(2)11)5-3-4-8(9)12/h6-7,10-11H,3-5H2,1-2H3
InChIKeyOMUZCBOOVJDKGD-UHFFFAOYSA-N
XLogP0.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-bis(1-hydroxyethyl)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

Cyclopentanone, 2-(1-hydroxypentyl)-
CID 162060
Cyclopentanone, 2-(1-hydroxyheptyl)-
CID 11008912
(4R)-4-cyclopentyl-4-hydroxybutan-2-one
CID 101435945
5-Ethyl-4-hydroxynonan-2-one
CID 221288
2-(Hydroxymethyl)-2-methylcyclopentanone
CID 274430
(5R,10R)-10-hydroxyspiro[4.5]decan-4-one
CID 10352080
(2R)-2-(hydroxymethyl)-2-undecylcyclopentan-1-one
CID 11492721
3-(1-Hydroxyethyl)heptan-2-one
CID 12262680
5-Hydroxy-2,2-dimethylnonan-3-one
CID 13301168
cis-3-Hydroxy-2-propyl-2-methylcyclopentanone
CID 13809465
(2r,3s)-3-Hydroxy-2-methyl-2-propylcyclopentanone
CID 13809466
(4S,5R)-5-hydroxy-2,2,4-trimethyldecan-3-one
CID 15750975

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1-hydroxyethyl)cyclopentan-1-one?
The IUPAC name of 2,2-bis(1-hydroxyethyl)cyclopentan-1-one (CID 130030109) is 2,2-bis(1-hydroxyethyl)cyclopentan-1-one.
What is the SMILES notation for 2,2-bis(1-hydroxyethyl)cyclopentan-1-one?
The canonical SMILES for 2,2-bis(1-hydroxyethyl)cyclopentan-1-one is CC(O)C1(C(C)O)CCCC1=O.
What is the InChIKey of 2,2-bis(1-hydroxyethyl)cyclopentan-1-one?
The InChIKey is OMUZCBOOVJDKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-6(10)9(7(2)11)5-3-4-8(9)12/h6-7,10-11H,3-5H2,1-2H3.
What are the key properties of 2,2-bis(1-hydroxyethyl)cyclopentan-1-one?
2,2-bis(1-hydroxyethyl)cyclopentan-1-one has a molecular weight of 172.22 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1-hydroxyethyl)cyclopentan-1-one is sourced from PubChem (CID 130030109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).