chempirical

1-Octen-3-yl acetate

C10H18O2CAS 2442-10-6170.25 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C10H18O2
Molar mass
170.25 g/mol
Exact mass
170.1307 Da
Density
0.8733 g/mL (at 20 °C)
Boiling point
79–80 °C (at 12 Torr)
logP
2.68Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Identifiers

CAS number
2442-10-6
SMILES
C=CC(CCCCC)OC(C)=O
InChIKey
DOJDQRFOTHOBEK-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O2/c1-4-6-7-8-10(5-2)12-9(3)11/h5,10H,2,4,6-8H2,1,3H3

Weigh it out

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

Names and synonyms

6 names
  • 1-Octen-3-ol, 3-acetate
  • 1-Octen-3-ol, acetate
  • 1-Pentylallyl acetate
  • Amylvinylcarbinol acetate
  • 3-Acetoxy-1-octene
  • 1-Octenyl-3-yl acetate

Work with 1-Octen-3-yl 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

1-Octen-3-yl butyrate16491-54-668 % similar Allylidene diacetate869-29-449 % similar Cyclohexyl acetate622-45-744 % similar Amyl acetate628-63-743 % similar Gamma-nonalactone104-61-043 % similar δ-Decalactone705-86-243 % similar Heptyl acetate112-06-142 % similar Octyl acetate112-14-142 % similar

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

Same formula

Methyl 2-nonenoate111-79-5 Hexyl methacrylate142-09-6 Allyl heptanoate142-19-8 9-Decenoic acid14436-32-9 Cyclohexyl butyrate1551-44-6 cis-3-Hexenyl butanoate16491-36-4 (+)-Pinanediol18680-27-8 4-Decenoic acid26303-90-2

Elsewhere

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