but-3-ene-1,2-diol

C4H8O2 — CID 10338

IUPACbut-3-ene-1,2-diol
SMILESC=CC(O)CO
InChIInChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2
InChIKeyITMIAZBRRZANGB-UHFFFAOYSA-N
MW88.11 g/mol
LogP-0.47
Rot. Bonds2

About but-3-ene-1,2-diol

but-3-ene-1,2-diol (PubChem CID 10338) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is but-3-ene-1,2-diol.

Molecular Properties

Compound Namebut-3-ene-1,2-diol
PubChem CID10338
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Namebut-3-ene-1,2-diol
SMILESC=CC(O)CO
InChIInChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2
InChIKeyITMIAZBRRZANGB-UHFFFAOYSA-N
XLogP-0.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze but-3-ene-1,2-diol 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

Divinyl glycol
CID 14042
1,5-Hexadien-3-ol
CID 79122
3-Butene-1,2-diol, (2S)-
CID 6999958
3-Butene-1,2-diol, (2R)-
CID 6999959
2-Methylbut-3-ene-1,2-diol
CID 185554
1,5-Hexadien-3-ol, (R)-
CID 641013
(2S,3S)-pent-4-ene-1,2,3-triol
CID 641010
(S)-4-Pentene-1,2-diol
CID 11062320
trans-(2r12s)-1,2-Dihydroxy-3-pentene
CID 12659788
Vinyl glycerol
CID 13550246
Pent-4-ene-2,3-diol
CID 14660056
cis-(2r12s)-1,2-Dihydroxy-3-pentene
CID 23243274

Frequently Asked Questions

What is the IUPAC name of but-3-ene-1,2-diol?
The IUPAC name of but-3-ene-1,2-diol (CID 10338) is but-3-ene-1,2-diol.
What is the SMILES notation for but-3-ene-1,2-diol?
The canonical SMILES for but-3-ene-1,2-diol is C=CC(O)CO.
What is the InChIKey of but-3-ene-1,2-diol?
The InChIKey is ITMIAZBRRZANGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2.
What are the key properties of but-3-ene-1,2-diol?
but-3-ene-1,2-diol has a molecular weight of 88.11 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-ene-1,2-diol is sourced from PubChem (CID 10338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).