chempirical

3-Hexenyl acetate

C8H14O2CAS 1708-82-3142.20 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C8H14O2
Molar mass
142.20 g/mol
Exact mass
142.0994 Da
Density
0.9077 g/mL (at 11 °C)
Boiling point
61 °C (at 12 Torr)
logP
1.91Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
1708-82-3
SMILES
CCC=CCCOC(C)=O
InChIKey
NPFVOOAXDOBMCE-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • 3-Hexen-1-ol, 1-acetate
  • 3-Hexen-1-ol, acetate
  • 3-Hexen-1-yl acetate
  • 1-Acetoxy-3-hexene
  • 3-Hexenyl ethanoate

Work with 3-Hexenyl acetate

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

cis-3-Hexenyl acetate3681-71-8100 % similar cis-3-Hexenyl propionate33467-74-259 % similar cis-3-Hexenyl butanoate16491-36-456 % similar cis-3-Hexenyl isobutyrate41519-23-756 % similar (Z)-3-Hexenyl tiglate67883-79-856 % similar (Z)-7-Dodecenyl acetate14959-86-554 % similar (Z)-8-Dodecenyl acetate28079-04-154 % similar (Z)-11-Hexadecenyl acetate34010-21-454 % similar

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

Same formula

γ-Octalactone104-50-7 1-Methylcyclohexanecarboxylic acid1123-25-7 trans-4-Methylcyclohexanecarboxylic acid13064-83-0 Cypionic acid140-77-2 2,5-Dimethyl-3-hexyne-2,5-diol142-30-3 Cycloheptanecarboxylic acid1460-16-8 2,2,3,3-Tetramethylcyclopropanecarboxylic acid15641-58-4 trans-2-Octenoic acid1871-67-6

Elsewhere

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