but-2-yn-1-ol

C4H6O — CID 12991

IUPACbut-2-yn-1-ol
SMILESCC#CCO
InChIInChI=1S/C4H6O/c1-2-3-4-5/h5H,4H2,1H3
InChIKeyNEEDEQSZOUAJMU-UHFFFAOYSA-N
MW70.09 g/mol
LogP0.00
Rot. Bonds

About but-2-yn-1-ol

but-2-yn-1-ol (PubChem CID 12991) has the molecular formula C4H6O and a molecular weight of 70.09 g/mol. Its IUPAC name is but-2-yn-1-ol.

Molecular Properties

Compound Namebut-2-yn-1-ol
PubChem CID12991
Molecular FormulaC4H6O
Molecular Weight70.09 g/mol
Exact Mass70.04
IUPAC Namebut-2-yn-1-ol
SMILESCC#CCO
InChIInChI=1S/C4H6O/c1-2-3-4-5/h5H,4H2,1H3
InChIKeyNEEDEQSZOUAJMU-UHFFFAOYSA-N
XLogP0.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.09
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze but-2-yn-1-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

2-Butyne-1,4-diol
CID 8066
Diacetylene glycol
CID 94973
3-Hexyn-1-ol
CID 66083
3-Pentyn-1-ol
CID 66295
2-Pentyn-1-ol
CID 80421
2,4,6-Octatriyn-1-ol
CID 11679812
Hex-2-yn-1-ol
CID 69818
2-Heptyn-1-ol
CID 535111
3-Heptyn-1-ol
CID 84693
Mercury, bis(3-hydroxy-1-propynyl)-
CID 44041
Hexa-2,5-diyn-1-ol
CID 18995710
2,4-Pentadiyn-1-ol
CID 638105

Frequently Asked Questions

What is the IUPAC name of but-2-yn-1-ol?
The IUPAC name of but-2-yn-1-ol (CID 12991) is but-2-yn-1-ol.
What is the SMILES notation for but-2-yn-1-ol?
The canonical SMILES for but-2-yn-1-ol is CC#CCO.
What is the InChIKey of but-2-yn-1-ol?
The InChIKey is NEEDEQSZOUAJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O/c1-2-3-4-5/h5H,4H2,1H3.
What are the key properties of but-2-yn-1-ol?
but-2-yn-1-ol has a molecular weight of 70.09 g/mol, XLogP of 0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yn-1-ol is sourced from PubChem (CID 12991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).