3-(5-hydroxypentyl)cyclohexan-1-one

C11H20O2 — CID 15091676

IUPAC3-(5-hydroxypentyl)cyclohexan-1-one
SMILESO=C1CCCC(CCCCCO)C1
InChIInChI=1S/C11H20O2/c12-8-3-1-2-5-10-6-4-7-11(13)9-10/h10,12H,1-9H2
InChIKeyPWSJGRCGEZMTIO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.30
Rot. Bonds5

About 3-(5-hydroxypentyl)cyclohexan-1-one

3-(5-hydroxypentyl)cyclohexan-1-one (PubChem CID 15091676) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(5-hydroxypentyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(5-hydroxypentyl)cyclohexan-1-one
PubChem CID15091676
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-(5-hydroxypentyl)cyclohexan-1-one
SMILESO=C1CCCC(CCCCCO)C1
InChIInChI=1S/C11H20O2/c12-8-3-1-2-5-10-6-4-7-11(13)9-10/h10,12H,1-9H2
InChIKeyPWSJGRCGEZMTIO-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(5-hydroxypentyl)cyclohexan-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

3-(Hydroxymethyl)-2-octanone
CID 62148
Serricornin
CID 194454
2-Nonanone, 3-(hydroxymethyl)-
CID 106823
2-(Hydroxymethyl)cyclohexanone
CID 21406
4-Hydroxy-4-(2-hydroxyethyl)cyclohexan-1-one
CID 184824
2-(3-Hydroxypropyl)cyclododecanone
CID 10130987
2-(3-Hydroxypropyl)cyclohexan-1-one
CID 12244234
3-Hydroxy-2-methyltridecan-4-one
CID 57398496
9-Hydroxy-3-(6-hydroxy-5,5-dimethylhexyl)-8,8-dimethylnonan-2-one
CID 11638232
29-Hydroxy-3,11-dimethyl-2-nonacosanone
CID 205990
8-Hydroxy-2,6-dimethyloctan-3-one
CID 3019961
4-(1-Hydroxyethyl)cyclohexanone
CID 14482736

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxypentyl)cyclohexan-1-one?
The IUPAC name of 3-(5-hydroxypentyl)cyclohexan-1-one (CID 15091676) is 3-(5-hydroxypentyl)cyclohexan-1-one.
What is the SMILES notation for 3-(5-hydroxypentyl)cyclohexan-1-one?
The canonical SMILES for 3-(5-hydroxypentyl)cyclohexan-1-one is O=C1CCCC(CCCCCO)C1.
What is the InChIKey of 3-(5-hydroxypentyl)cyclohexan-1-one?
The InChIKey is PWSJGRCGEZMTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c12-8-3-1-2-5-10-6-4-7-11(13)9-10/h10,12H,1-9H2.
What are the key properties of 3-(5-hydroxypentyl)cyclohexan-1-one?
3-(5-hydroxypentyl)cyclohexan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxypentyl)cyclohexan-1-one is sourced from PubChem (CID 15091676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).