but-3-yn-2-ol

C4H6O — CID 16239

IUPACbut-3-yn-2-ol
SMILESC#CC(C)O
InChIInChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3
InChIKeyGKPOMITUDGXOSB-UHFFFAOYSA-N
MW70.09 g/mol
LogP0.00
Rot. Bonds

About but-3-yn-2-ol

but-3-yn-2-ol (PubChem CID 16239) has the molecular formula C4H6O and a molecular weight of 70.09 g/mol. Its IUPAC name is but-3-yn-2-ol.

Molecular Properties

Compound Namebut-3-yn-2-ol
PubChem CID16239
Molecular FormulaC4H6O
Molecular Weight70.09 g/mol
Exact Mass70.04
IUPAC Namebut-3-yn-2-ol
SMILESC#CC(C)O
InChIInChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3
InChIKeyGKPOMITUDGXOSB-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'}

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Related Compounds

3-Hexyne-2,5-diol
CID 18198
1-Pentyn-3-ol
CID 92981
4-Pentyn-2-ol
CID 92915
5-Hexyn-3-ol
CID 89223
3-Hexyn-2-ol
CID 7990
Hept-4-yn-2-ol
CID 89225
(2R)-but-3-yn-2-ol
CID 638102
(2S)-But-3-yn-2-ol
CID 6995470
3-Pentyn-2-ol
CID 141344
Penta-1,4-diyn-3-ol
CID 11051571
2-Pentyne-1,4-diol
CID 102518
4-Hexyn-3-ol
CID 140751

Frequently Asked Questions

What is the IUPAC name of but-3-yn-2-ol?
The IUPAC name of but-3-yn-2-ol (CID 16239) is but-3-yn-2-ol.
What is the SMILES notation for but-3-yn-2-ol?
The canonical SMILES for but-3-yn-2-ol is C#CC(C)O.
What is the InChIKey of but-3-yn-2-ol?
The InChIKey is GKPOMITUDGXOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3.
What are the key properties of but-3-yn-2-ol?
but-3-yn-2-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-3-yn-2-ol is sourced from PubChem (CID 16239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).