trans-2-Pentenoic acid
Properties
- Molecular formula
- C5H8O2
- Molar mass
- 100.12 g/mol
- Exact mass
- 100.0524 Da
- Melting point
- 192–194 °C
- Boiling point
- 174–175 °C
- logP
- 1.04Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
- Double bonds
- EE/Z, in SMILES order
Identifiers
CAS number
13991-37-2SMILES
CC/C=C/C(=O)OInChIKey
YIYBQIKDCADOSF-ONEGZZNKSA-NInChI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 2-Pentenoic acid, (2E)-
- 2-Pentenoic acid, (E)-
- (2E)-2-Pentenoic acid
- (E)-2-Pentenoic acid
- (E)-Pent-2-enoic acid
- (2E)-Pent-2-enoic acid
Work with trans-2-Pentenoic acid
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
2-Hexenoic acid1191-04-462 % similar
trans-2-Hexenoic acid13419-69-762 % similar
Glutaconic acid1724-02-358 % similar
trans-2-Octenoic acid1871-67-655 % similar
trans-2-Decenoic acid334-49-653 % similar
2-Nonenoic acid3760-11-053 % similar
Maleic acid110-16-752 % similar
Poly(maleic acid)26099-09-252 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds