cis-3-Hexenyl butanoate

C₁₀H₁₈O₂CAS 16491-36-4170.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₈O₂
Molar mass: 170.25 g/mol
Exact mass: 170.1307 Da
Boiling point: 96 °C (at 20 Torr)
logP: 2.69Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Identifiers

CAS number

16491-36-4

SMILES

CC/C=CCCOC(=O)CCC

InChIKey

ZCHOPXVYTWUHDS-WAYWQWQTSA-N

InChI

InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/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, (3Z)-3-hexen-1-yl ester
Butyric acid, 3-hexenyl ester, (Z)-
Butanoic acid, 3-hexenyl ester, (Z)-
Butanoic acid, (3Z)-3-hexenyl ester
cis-3-Hexenyl butyrate
cis-Hex-3-en-1-yl butyrate
(Z)-3-Hexen-1-yl butyrate
(Z)-3-Hexenyl butanoate
(Z)-3-Hexenyl butyrate
(Z)-3-Hexen-1-ol butanoate
(3Z)-Hexenyl butyrate
(3Z)-Hexenyl butanoate
Pipol butyrate

Work with cis-3-Hexenyl butanoate

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 valerate35852-46-181 % similar (Z)-3-Hexenyl hexanoate31501-11-879 % similar cis-3-Hexenyl propionate33467-74-269 % similar cis-3-Hexenyl isovalerate35154-45-161 % similar Propyl butyrate105-66-860 % similar trans-2-Hexenyl butyrate53398-83-759 % similar Butyl butyrate109-21-756 % similar 1,1′-(2-Butene-1,4-diyl) dibutanoate1572-84-556 % similar

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

Same formula

Methyl 2-nonenoate111-79-5 Linalool oxide1365-19-1 Hexyl methacrylate142-09-6 Allyl heptanoate142-19-8 9-Decenoic acid14436-32-9 Cyclohexyl butyrate1551-44-6 (+)-Pinanediol18680-27-8 1-Octen-3-yl acetate2442-10-6

Elsewhere

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