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'}

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Related Compounds

4-Ethyl-3-hydroxy-1-octyne
CID 93012
2-Methyltetradeca-5,7-diyne-4,9-diol
CID 122187221
1-Cyclopentyl-1-propanol
CID 536851
3-Nonyne-1,5-diol, 5-ethyl-7-methyl-
CID 56817
rac-(1R,2S)-2-ethynylcyclopentan-1-ol
CID 12386478
2-Ethynylcyclopentanol
CID 4162420
7-Tetradecyne-6,9-diol, 5,10-diethyl-
CID 117233
cis-2-Ethynylcyclopentanol
CID 12386475
1-Cyclopentylbutan-1-ol
CID 21707647
(1S)-1-cyclopentylpropan-1-ol
CID 1810448
1-Cyclohexylhex-2-yne-1,6-diol
CID 12159714
trans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol
CID 12791810

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).