1-cyclopentylhept-2-yne-1,7-diol

C12H20O2 — CID 134861232

IUPAC1-cyclopentylhept-2-yne-1,7-diol
SMILESOCCCCC#CC(O)C1CCCC1
InChIInChI=1S/C12H20O2/c13-10-6-2-1-3-9-12(14)11-7-4-5-8-11/h11-14H,1-2,4-8,10H2
InChIKeyRFWVLYUVKQVRNU-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.70
Rot. Bonds4

About 1-cyclopentylhept-2-yne-1,7-diol

1-cyclopentylhept-2-yne-1,7-diol (PubChem CID 134861232) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-cyclopentylhept-2-yne-1,7-diol.

Molecular Properties

Compound Name1-cyclopentylhept-2-yne-1,7-diol
PubChem CID134861232
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-cyclopentylhept-2-yne-1,7-diol
SMILESOCCCCC#CC(O)C1CCCC1
InChIInChI=1S/C12H20O2/c13-10-6-2-1-3-9-12(14)11-7-4-5-8-11/h11-14H,1-2,4-8,10H2
InChIKeyRFWVLYUVKQVRNU-UHFFFAOYSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclopentylhept-2-yne-1,7-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

1-cyclopentylhex-2-yne-1,6-diol
CID 134846390
1-cyclopropylhept-2-yne-1,7-diol
CID 134845637
1-cyclohexylpent-2-yn-1-ol
CID 177314647
(1R,4R)-1,4-dicyclohexylbut-2-yne-1,4-diol
CID 12063945
1-cyclohexylheptane-1,7-diol
CID 67923944
1-cyclohexyldodecane-1,12-diol
CID 11161921
1-cyclohexyl-4-methylhex-2-yn-1-ol
CID 10867216
(4S)-4-amino-4-cyclohexylbutan-1-ol
CID 102516079
1-cyclohexyltridec-2-yne-1,4-diol
CID 15695908
(1S,2S,3R,6S)-2-(3-cyclohexyl-3-hydroxyprop-1-ynyl)-7-(5-hydroxypentylidene)bicyclo[4.2.0]octan-3-ol
CID 57084641
5-cyclohexyl-5-sulfanylpentan-1-ol
CID 87600035
4-cyclohexyl-4-hydroxybut-2-ynoic acid
CID 11830059

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylhept-2-yne-1,7-diol?
The IUPAC name of 1-cyclopentylhept-2-yne-1,7-diol (CID 134861232) is 1-cyclopentylhept-2-yne-1,7-diol.
What is the SMILES notation for 1-cyclopentylhept-2-yne-1,7-diol?
The canonical SMILES for 1-cyclopentylhept-2-yne-1,7-diol is OCCCCC#CC(O)C1CCCC1.
What is the InChIKey of 1-cyclopentylhept-2-yne-1,7-diol?
The InChIKey is RFWVLYUVKQVRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-10-6-2-1-3-9-12(14)11-7-4-5-8-11/h11-14H,1-2,4-8,10H2.
What are the key properties of 1-cyclopentylhept-2-yne-1,7-diol?
1-cyclopentylhept-2-yne-1,7-diol has a molecular weight of 196.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylhept-2-yne-1,7-diol is sourced from PubChem (CID 134861232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).