chempirical

(+-)-3-Penten-2-ol

C5H10OCAS 1569-50-286.13 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C5H10O
Molar mass
86.13 g/mol
Exact mass
86.0732 Da
logP
0.94Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
1569-50-2
SMILES
CC=CC(C)O
InChIKey
GJYMQFMQRRNLCY-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O/c1-3-4-5(2)6/h3-6H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Pent-3-en-2-ol
  • (E,2S)-Pent-3-en-2-ol
  • (S)-trans-3-Penten-2-ol
  • (E)-3-Penten-2-ol
  • (E,2S)-3-Penten-2-ol
  • 3-Penten-2-ol,predominantly trans

Work with (+-)-3-Penten-2-ol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Buten-2-ol598-32-343 % similar cis-4-Methyl-2-pentene691-38-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Pentanone107-87-9 Pentanal110-62-3 2-Methyl-3-buten-2-ol115-18-4 Tetrahydropyran142-68-7 cis-2-Penten-1-ol1576-95-0 2-Cyclopropylethanol2566-44-1 Cyclobutanemethanol4415-82-1 Prenol556-82-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook