(±)-Butyl 2-methylbutanoate

C₉H₁₈O₂CAS 15706-73-7158.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₈O₂
Molar mass: 158.24 g/mol
Exact mass: 158.1307 Da
Boiling point: 179 °C
logP: 2.38Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Identifiers

CAS number

15706-73-7

SMILES

CCCCOC(=O)C(C)CC

InChIKey

OTKQNSSMCDLVQV-UHFFFAOYSA-N

InChI

InChI=1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3

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

Names and synonyms

5 names

Butanoic acid, 2-methyl-, butyl ester
Butyric acid, 2-methyl-, butyl ester
Butyl 2-methylbutanoate
Butyl 2-methylbutyrate
n-Butyl 2-methylbutyrate

Work with (±)-Butyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

Isoamyl butyrate106-27-4 Ethyl heptanoate106-30-9 Butyl isovalerate109-19-3 Methyl octanoate111-11-5 Pelargonic acid112-05-0 Heptyl acetate112-06-1 4-Methyl-2-pentyl-1,3-dioxolane1599-49-1 Isoamyl isobutyrate2050-01-3

Elsewhere

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