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

C9H12O — CID 134875441

IUPAC4-(cyclopenten-1-yl)but-3-yn-1-ol
SMILESOCCC#CC1=CCCC1
InChIInChI=1S/C9H12O/c10-8-4-3-7-9-5-1-2-6-9/h5,10H,1-2,4,6,8H2
InChIKeyQBDSRRPYICHTAI-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.48
Rot. Bonds1

About 4-(cyclopenten-1-yl)but-3-yn-1-ol

4-(cyclopenten-1-yl)but-3-yn-1-ol (PubChem CID 134875441) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 4-(cyclopenten-1-yl)but-3-yn-1-ol.

Molecular Properties

Compound Name4-(cyclopenten-1-yl)but-3-yn-1-ol
PubChem CID134875441
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name4-(cyclopenten-1-yl)but-3-yn-1-ol
SMILESOCCC#CC1=CCCC1
InChIInChI=1S/C9H12O/c10-8-4-3-7-9-5-1-2-6-9/h5,10H,1-2,4,6,8H2
InChIKeyQBDSRRPYICHTAI-UHFFFAOYSA-N
XLogP1.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopenten-1-yl)but-3-yn-1-ol?
The IUPAC name of 4-(cyclopenten-1-yl)but-3-yn-1-ol (CID 134875441) is 4-(cyclopenten-1-yl)but-3-yn-1-ol.
What is the SMILES notation for 4-(cyclopenten-1-yl)but-3-yn-1-ol?
The canonical SMILES for 4-(cyclopenten-1-yl)but-3-yn-1-ol is OCCC#CC1=CCCC1.
What is the InChIKey of 4-(cyclopenten-1-yl)but-3-yn-1-ol?
The InChIKey is QBDSRRPYICHTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c10-8-4-3-7-9-5-1-2-6-9/h5,10H,1-2,4,6,8H2.
What are the key properties of 4-(cyclopenten-1-yl)but-3-yn-1-ol?
4-(cyclopenten-1-yl)but-3-yn-1-ol has a molecular weight of 136.19 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopenten-1-yl)but-3-yn-1-ol is sourced from PubChem (CID 134875441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).