2-nonylcyclopentane-1,3-diol

C14H28O2 — CID 163304158

IUPAC2-nonylcyclopentane-1,3-diol
SMILESCCCCCCCCCC1C(O)CCC1O
InChIInChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-12-13(15)10-11-14(12)16/h12-16H,2-11H2,1H3
InChIKeyZSIQJMZPSQKABM-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.26
Rot. Bonds8

About 2-nonylcyclopentane-1,3-diol

2-nonylcyclopentane-1,3-diol (PubChem CID 163304158) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-nonylcyclopentane-1,3-diol.

Molecular Properties

Compound Name2-nonylcyclopentane-1,3-diol
PubChem CID163304158
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-nonylcyclopentane-1,3-diol
SMILESCCCCCCCCCC1C(O)CCC1O
InChIInChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-12-13(15)10-11-14(12)16/h12-16H,2-11H2,1H3
InChIKeyZSIQJMZPSQKABM-UHFFFAOYSA-N
XLogP3.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-nonylcyclopentane-1,3-diol 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

ethane;1-(3-hydroxy-2-pentylcyclopentyl)propan-2-one
CID 91218401
2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid
CID 129129516
Cyclopentaneacetic acid, 3-hydroxy-2-pentyl-, sodium salt (1:1)
CID 126511471
methyl 2-[(1R,2S,3S)-3-hydroxy-2-pentylcyclopentyl]acetate
CID 11872416
methyl 2-[(1R,2R,3S)-3-hydroxy-2-pentylcyclopentyl]acetate
CID 7001548
(1S,2R,3S)-2-(7-hydroxyhepta-4,6-dienyl)-3-octylcyclopentan-1-ol
CID 154376350
trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide
CID 7296014
2-dodecyl-4-ethylcyclohexan-1-ol
CID 63461251
2-decylbicyclo[1.1.0]butane
CID 123632675
1,4-dihexylcyclohexane
CID 22947938

Frequently Asked Questions

What is the IUPAC name of 2-nonylcyclopentane-1,3-diol?
The IUPAC name of 2-nonylcyclopentane-1,3-diol (CID 163304158) is 2-nonylcyclopentane-1,3-diol.
What is the SMILES notation for 2-nonylcyclopentane-1,3-diol?
The canonical SMILES for 2-nonylcyclopentane-1,3-diol is CCCCCCCCCC1C(O)CCC1O.
What is the InChIKey of 2-nonylcyclopentane-1,3-diol?
The InChIKey is ZSIQJMZPSQKABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-12-13(15)10-11-14(12)16/h12-16H,2-11H2,1H3.
What are the key properties of 2-nonylcyclopentane-1,3-diol?
2-nonylcyclopentane-1,3-diol has a molecular weight of 228.38 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonylcyclopentane-1,3-diol is sourced from PubChem (CID 163304158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).