3-(cyclopentylmethyl)-5-hydroxypentan-2-one

C11H20O2 — CID 103344013

IUPAC3-(cyclopentylmethyl)-5-hydroxypentan-2-one
SMILESCC(=O)C(CCO)CC1CCCC1
InChIInChI=1S/C11H20O2/c1-9(13)11(6-7-12)8-10-4-2-3-5-10/h10-12H,2-8H2,1H3
InChIKeyUNGBBBPEJYHZKU-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.15
Rot. Bonds5

About 3-(cyclopentylmethyl)-5-hydroxypentan-2-one

3-(cyclopentylmethyl)-5-hydroxypentan-2-one (PubChem CID 103344013) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-5-hydroxypentan-2-one.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-5-hydroxypentan-2-one
PubChem CID103344013
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-(cyclopentylmethyl)-5-hydroxypentan-2-one
SMILESCC(=O)C(CCO)CC1CCCC1
InChIInChI=1S/C11H20O2/c1-9(13)11(6-7-12)8-10-4-2-3-5-10/h10-12H,2-8H2,1H3
InChIKeyUNGBBBPEJYHZKU-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-3-(oxan-4-ylmethyl)pentan-2-one
CID 103344069
3-amino-4-cyclohexylbutan-2-one
CID 20668322
2-(cyclobutylmethyl)-4-cyclopentyl-N-propan-2-ylbutanamide
CID 21366288
2-(cyclopentylmethyl)-N-methylhexanamide
CID 70921101
N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide
CID 119495852
2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid
CID 119225381
2-(cyclobutylmethyl)-3-hydroxypropanoic acid
CID 130150360
2-prop-1-en-2-ylpentylcyclobutane
CID 123471153
(2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid
CID 119244683
2-(cyclobutylmethyl)-N-methylhexanamide
CID 89102892
3-[2-(3-cyclopentyl-2-methoxypropanoyl)oxyethyl]-4-oxopentanoic acid
CID 163937062
(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-5-hydroxypentan-2-one?
The IUPAC name of 3-(cyclopentylmethyl)-5-hydroxypentan-2-one (CID 103344013) is 3-(cyclopentylmethyl)-5-hydroxypentan-2-one.
What is the SMILES notation for 3-(cyclopentylmethyl)-5-hydroxypentan-2-one?
The canonical SMILES for 3-(cyclopentylmethyl)-5-hydroxypentan-2-one is CC(=O)C(CCO)CC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethyl)-5-hydroxypentan-2-one?
The InChIKey is UNGBBBPEJYHZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(13)11(6-7-12)8-10-4-2-3-5-10/h10-12H,2-8H2,1H3.
What are the key properties of 3-(cyclopentylmethyl)-5-hydroxypentan-2-one?
3-(cyclopentylmethyl)-5-hydroxypentan-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-5-hydroxypentan-2-one is sourced from PubChem (CID 103344013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).