1-(cyclopenten-1-yl)but-3-yn-1-ol

C9H12O — CID 130126633

IUPAC1-(cyclopenten-1-yl)but-3-yn-1-ol
SMILESC#CCC(O)C1=CCCC1
InChIInChI=1S/C9H12O/c1-2-5-9(10)8-6-3-4-7-8/h1,6,9-10H,3-5,7H2
InChIKeyFVSNCAPIZQLQQS-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.48
Rot. Bonds2

About 1-(cyclopenten-1-yl)but-3-yn-1-ol

1-(cyclopenten-1-yl)but-3-yn-1-ol (PubChem CID 130126633) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)but-3-yn-1-ol.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)but-3-yn-1-ol
PubChem CID130126633
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name1-(cyclopenten-1-yl)but-3-yn-1-ol
SMILESC#CCC(O)C1=CCCC1
InChIInChI=1S/C9H12O/c1-2-5-9(10)8-6-3-4-7-8/h1,6,9-10H,3-5,7H2
InChIKeyFVSNCAPIZQLQQS-UHFFFAOYSA-N
XLogP1.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methyldec-3-en-5-ol
CID 6441135
4-Methyl-3-decen-5-ol
CID 163336
9-Pentadecene-12,14-diyne-1,11-diol
CID 13913099
Sistodiolynne
CID 10909719
1-(Cyclopenten-1-yl)ethanol
CID 12491270
(E)-1-(cyclopenten-1-yl)but-2-en-1-ol
CID 21192053
2-Hexylcyclopent-2-en-1-ol
CID 92074
4-Methyl-3-decen-5-ol, (3E)-(R)-
CID 40428776
1-(Cyclopenten-1-yl)prop-2-en-1-ol
CID 12454956
1-(1-Cyclopentenyl)-propan-1-ol
CID 20475790
3-Prop-2-enylcyclopent-2-en-1-ol
CID 65174238
(Z)-7-methyl-3-pentyloct-3-en-5-yne-2,7-diol
CID 11514102

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)but-3-yn-1-ol?
The IUPAC name of 1-(cyclopenten-1-yl)but-3-yn-1-ol (CID 130126633) is 1-(cyclopenten-1-yl)but-3-yn-1-ol.
What is the SMILES notation for 1-(cyclopenten-1-yl)but-3-yn-1-ol?
The canonical SMILES for 1-(cyclopenten-1-yl)but-3-yn-1-ol is C#CCC(O)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)but-3-yn-1-ol?
The InChIKey is FVSNCAPIZQLQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-5-9(10)8-6-3-4-7-8/h1,6,9-10H,3-5,7H2.
What are the key properties of 1-(cyclopenten-1-yl)but-3-yn-1-ol?
1-(cyclopenten-1-yl)but-3-yn-1-ol has a molecular weight of 136.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)but-3-yn-1-ol is sourced from PubChem (CID 130126633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).