chempirical

trans-3-Hexen-1-ol

C6H12OCAS 928-97-2100.16 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C6H12O
Molar mass
100.16 g/mol
Exact mass
100.0888 Da
Melting point
99 °C
Boiling point
51–53 °C (at 9 Torr)
logP
1.33Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
928-97-2
SMILES
CC/C=C/CCO
InChIKey
UFLHIIWVXFIJGU-ONEGZZNKSA-N
InChI
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+

Weigh it out

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

Names and synonyms

10 names
  • 3-Hexen-1-ol, (3E)-
  • 3-Hexen-1-ol, (E)-
  • 3-Hexen-1-ol, trans-
  • (3E)-3-Hexen-1-ol
  • trans-3-Hexenol
  • (E)-3-Hexen-1-ol
  • (E)-3-Hexenol
  • (3E)-Hexenol
  • (3E)-Hex-3-en-1-ol
  • trans-1-Hydroxy-3-hexene

Work with trans-3-Hexen-1-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-Hexen-1-ol544-12-7100 % similar cis-3-Hexen-1-ol928-96-1100 % similar (Z)-5-Octen-1-ol64275-73-668 % similar cis-6-Nonen-1-ol35854-86-565 % similar cis-3-Octen-1-ol20125-84-257 % similar (Z)-3-Nonen-1-ol10340-23-554 % similar 3-Hexene592-47-253 % similar trans-3-Heptene14686-14-752 % similar

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

Same formula

Methyl isobutyl ketone108-10-1 Cyclohexanol108-93-0 Isobutyl vinyl ether109-53-5 Butyl vinyl ether111-34-2 (±)-2-Methylpentanal123-15-9 2-Butyloxirane1436-34-6 1-Methylcyclopentanol1462-03-9 3-Propoxy-1-propene1471-03-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook