trans-2-Butene-1,4-diol
Properties
- Molecular formula
- C4H8O2
- Molar mass
- 88.11 g/mol
- Exact mass
- 88.0524 Da
- Density
- 1.0687 g/mL (at 20 °C)
- Melting point
- 25 °C
- Boiling point
- 131 °C
- logP
- -0.47Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
- Double bonds
- EE/Z, in SMILES order
Identifiers
CAS number
821-11-4SMILES
OC/C=C/COInChIKey
ORTVZLZNOYNASJ-OWOJBTEDSA-NInChI
InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1+Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- 2-Butene-1,4-diol, (2E)-
- 2-Butene-1,4-diol, (E)-
- 2-Butene-1,4-diol, trans-
- (2E)-2-Butene-1,4-diol
- (E)-2-Butene-1,4-diol
- Penitricin C
- (2E)-But-2-ene-1,4-diol
- trans-2-Buten-1,4-diol
Work with trans-2-Butene-1,4-diol
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
cis-Butene-1,4-diol6117-80-2100 % similar
cis-2-Penten-1-ol1576-95-060 % similar
Crotyl alcohol6117-91-557 % similar
cis-2-Hexen-1-ol928-94-953 % similar
trans-2-Hexen-1-ol928-95-053 % similar
trans-2-Hepten-1-ol33467-76-447 % similar
2,4-Hexadien-1-ol111-28-447 % similar
(2E,4E)-2,4-Hexadien-1-ol17102-64-647 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds