cis-3-Hexenyl valerate

C11H20O2CAS 35852-46-1184.28 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C11H20O2
Molar mass
184.28 g/mol
Exact mass
184.1463 Da
Density
0.879–0.885 g/mL
logP
3.08Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Hazards

Not classified as hazardous under GHS by 116 ECHA notifiers. Aggregated from 116 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
35852-46-1
SMILES
CC/C=CCCOC(=O)CCCC
InChIKey
XPFTVTFOOTVHIA-ALCCZGGFSA-N
InChI
InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-

Weigh it out

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

Names and synonyms

7 names
  • Pentanoic acid, (3Z)-3-hexen-1-yl ester
  • Pentanoic acid, 3-hexenyl ester, (Z)-
  • Pentanoic acid, (3Z)-3-hexenyl ester
  • cis-3-Hexenyl pentanoate
  • cis-Hex-3-en-1-yl pentanoate
  • Z-3-Hexenyl valerate
  • Hexenyl valerate, (3Z)-

Work with cis-3-Hexenyl valerate

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

(Z)-3-Hexenyl hexanoate31501-11-891 % similar cis-3-Hexenyl butanoate16491-36-481 % similar cis-3-Hexenyl propionate33467-74-265 % similar Butyl oleate142-77-864 % similar Decyl oleate3687-46-564 % similar Butyl valerate591-68-463 % similar Pentyl pentanoate2173-56-061 % similar Dibutyl adipate105-99-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethylhexyl acrylate103-11-7 γ-Undecalactone104-67-6 Citronellyl formate105-85-1 2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-4 Undecylenic acid112-38-9 Octyl acrylate2499-59-4 Isooctyl acrylate29590-42-9 cis-3-Hexenyl isovalerate35154-45-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook