cis-3-Hexenyl valerate

C₁₁H₂₀O₂CAS 35852-46-1184.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₂₀O₂
Molar mass: 184.28 g/mol
Exact mass: 184.1463 Da
logP: 3.08Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 7

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.

Names and synonyms

6 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

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 cis-3-Hexenyl isovalerate35154-45-1 Buciclic acid38289-28-0

Elsewhere

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