2-[cyclopentyl(hydroxy)methoxy]propan-2-ol

C9H18O3 — CID 91264670

IUPAC2-[cyclopentyl(hydroxy)methoxy]propan-2-ol
SMILESCC(C)(O)OC(O)C1CCCC1
InChIInChI=1S/C9H18O3/c1-9(2,11)12-8(10)7-5-3-4-6-7/h7-8,10-11H,3-6H2,1-2H3
InChIKeyCXEWSUOLHCAVTB-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.24
Rot. Bonds3

About 2-[cyclopentyl(hydroxy)methoxy]propan-2-ol

2-[cyclopentyl(hydroxy)methoxy]propan-2-ol (PubChem CID 91264670) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[cyclopentyl(hydroxy)methoxy]propan-2-ol.

Molecular Properties

Compound Name2-[cyclopentyl(hydroxy)methoxy]propan-2-ol
PubChem CID91264670
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-[cyclopentyl(hydroxy)methoxy]propan-2-ol
SMILESCC(C)(O)OC(O)C1CCCC1
InChIInChI=1S/C9H18O3/c1-9(2,11)12-8(10)7-5-3-4-6-7/h7-8,10-11H,3-6H2,1-2H3
InChIKeyCXEWSUOLHCAVTB-UHFFFAOYSA-N
XLogP1.24
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[cyclopentyl(hydroxy)methoxy]propan-2-ol 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

1,1-dicyclohexylpropane-2,2-diol
CID 141350052
1-cyclohexyl-4-methylpent-2-yne-1,4-diol
CID 18509553
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
1-cyclohexyl-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046048
1-cyclohexyl-1-(methylamino)propan-2-ol
CID 116859518
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
1-cyclohexyl-2-(dimethylamino)-2-methylbutan-1-ol
CID 79064519
butoxy(cyclohexyl)methanol
CID 89347064
3-cyclohexyl-1-cyclopentylbutane-1,3-diol
CID 57289443
cyclopentyl(prop-2-enoxy)methanol
CID 163201000
(3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 89281788
(1S)-1-cyclohexyl-2,2-dimethoxyethanol
CID 100970044

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(hydroxy)methoxy]propan-2-ol?
The IUPAC name of 2-[cyclopentyl(hydroxy)methoxy]propan-2-ol (CID 91264670) is 2-[cyclopentyl(hydroxy)methoxy]propan-2-ol.
What is the SMILES notation for 2-[cyclopentyl(hydroxy)methoxy]propan-2-ol?
The canonical SMILES for 2-[cyclopentyl(hydroxy)methoxy]propan-2-ol is CC(C)(O)OC(O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(hydroxy)methoxy]propan-2-ol?
The InChIKey is CXEWSUOLHCAVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-9(2,11)12-8(10)7-5-3-4-6-7/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of 2-[cyclopentyl(hydroxy)methoxy]propan-2-ol?
2-[cyclopentyl(hydroxy)methoxy]propan-2-ol has a molecular weight of 174.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(hydroxy)methoxy]propan-2-ol is sourced from PubChem (CID 91264670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).