chempirical

(Z)-3-Hexenyl hexanoate

C12H22O2CAS 31501-11-8198.31 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C12H22O2
Molar mass
198.31 g/mol
Exact mass
198.1620 Da
logP
3.47Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Identifiers

CAS number
31501-11-8
SMILES
CC/C=CCCOC(=O)CCCCC
InChIKey
RGACQXBDYBCJCY-ALCCZGGFSA-N
InChI
InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-

Weigh it out

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

Names and synonyms

9 names
  • Hexanoic acid, (3Z)-3-hexen-1-yl ester
  • Hexanoic acid, 3-hexenyl ester, (Z)-
  • Hexanoic acid, (3Z)-3-hexenyl ester
  • cis-3-Hexenyl caproate
  • cis-3-Hexenyl hexanoate
  • cis-3-Hexen-1-yl caproate
  • cis-Hex-3-en-1-yl hexanoate
  • (Z)-3-Hexen-1-yl hexanoate
  • Leaf hexanoate

Work with (Z)-3-Hexenyl hexanoate

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 valerate35852-46-191 % similar cis-3-Hexenyl butanoate16491-36-479 % similar Butyl oleate142-77-871 % similar Decyl oleate3687-46-571 % similar Methoxyethyl oleate111-10-464 % similar Polyethylene glycol monooleate9004-96-064 % similar Pentyl hexanoate540-07-864 % similar Propyl hexanoate626-77-764 % similar

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

Same formula

Methyl 10-undecenoate111-81-9 4,7-Dimethyl-5-decyn-4,7-diol126-87-4 Citronellyl acetate150-84-5 Menthyl acetate16409-45-3 ε-Dodecalactone16429-21-3 1-Octen-3-yl butyrate16491-54-6 [1,1′-Bicyclohexyl]-4,4′-diol20601-38-1 γ-Dodecalactone2305-05-7

Elsewhere

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