cis-3-Hexenyl isovalerate

C₁₁H₂₀O₂CAS 35154-45-1184.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₂₀O₂
Molar mass: 184.28 g/mol
Exact mass: 184.1463 Da
logP: 2.93Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Identifiers

CAS number

35154-45-1

SMILES

CC/C=CCCOC(=O)CC(C)C

InChIKey

AIQLNKITFBJPFO-WAYWQWQTSA-N

InChI

InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-

Weigh it out

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

Names and synonyms

13 names · show all

Butanoic acid, 3-methyl-, (3Z)-3-hexen-1-yl ester
Butanoic acid, 3-methyl-, 3-hexenyl ester, (Z)-
Butanoic acid, 3-methyl-, (3Z)-3-hexenyl ester
AI 3-35966
cis-3-Hexenyl isopentanoate
(Z)-Hex-3-enyl 3-methylbutanoate
(Z)-3-Hexenyl isovalerate
(Z)-3-Hexen-1-yl isovalerate
cis-Hex-3-enyl 3-methylbutanoate
(Z)-3-Hexenyl 3-methylbutyrate
cis-3-Hexenyl 3-methylbutyrate
(3Z)-Hexenyl isovalerate
(3Z)-Hexenyl 3-methyl butyrate

Work with cis-3-Hexenyl isovalerate

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 propionate33467-74-265 % similar cis-3-Hexenyl butanoate16491-36-461 % similar cis-3-Hexenyl isobutyrate41519-23-757 % similar (Z)-3-Hexenyl hexanoate31501-11-856 % similar Isoamyl isovalerate659-70-156 % similar Butyl isovalerate109-19-356 % similar Ethyl isovalerate108-64-553 % similar 3-Hexenyl acetate1708-82-353 % 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 valerate35852-46-1 Buciclic acid38289-28-0

Elsewhere

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