cis-3-Hexenyl 2-methylbutanoate

C₁₁H₂₀O₂CAS 53398-85-9184.28 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

53398-85-9

SMILES

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

InChIKey

JKKGTSUICJWEKB-SREVYHEPNA-N

InChI

InChI=1/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-

Weigh it out

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

Names and synonyms

10 names

Butanoic acid, 2-methyl-, (3Z)-3-hexen-1-yl ester
Butanoic acid, 2-methyl-, 3-hexenyl ester, (Z)-
Butanoic acid, 2-methyl-, (3Z)-3-hexenyl ester
cis-3-Hexenyl 2-methylbutyrate
(Z)-3-Hexenyl 2-methylbutyrate
(±)-cis-3-Hexenyl 2-methylbutyrate
(Z)-3-Hexen-1-ol 2-methylbutanoate
(Z)-3-Hexenyl 2-methylbutanoate
Leaf 2-methyl butyrate
cis-3-Hexenyl methylbutanoate

Work with cis-3-Hexenyl 2-methylbutanoate

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 isobutyrate41519-23-769 % similar (Z)-3-Hexenyl lactate61931-81-563 % similar (±)-Butyl 2-methylbutanoate15706-73-757 % similar Ethyl 2-methylbutanoate7452-79-154 % similar Hexyl 2-methylbutanoate10032-15-254 % similar 3-Hexenyl acetate1708-82-351 % similar cis-3-Hexenyl acetate3681-71-851 % similar Phenylethyl 2-methylbutyrate24817-51-451 % 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 cis-3-Hexenyl valerate35852-46-1

Elsewhere

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