Ethyl heptanoate

C₉H₁₈O₂CAS 106-30-9158.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₈O₂
Molar mass: 158.24 g/mol
Exact mass: 158.1307 Da
Density: 0.7775 g/mL (at 20 °C)
Melting point: −66.1 °C
Boiling point: 187 °C
logP: 2.52Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Identifiers

CAS number

106-30-9

SMILES

CCCCCCC(=O)OCC

InChIKey

TVQGDYNRXLTQAP-UHFFFAOYSA-N

InChI

InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3

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Names and synonyms

12 names

Heptanoic acid, ethyl ester
Enanthic acid, ethyl ester
Cognac oil
Enanthylic ether
Ethyl enanthate
Ethyl heptoate
Ethyl heptylate
Ethyl oenanthate
Ethyl oenanthylate
Oenanthic ether
Ethyl n-heptanoate
NSC 8891

Work with Ethyl heptanoate

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 Butyl isovalerate109-19-3 Methyl octanoate111-11-5 Pelargonic acid112-05-0 Heptyl acetate112-06-1 (±)-Butyl 2-methylbutanoate15706-73-7 4-Methyl-2-pentyl-1,3-dioxolane1599-49-1 Isoamyl isobutyrate2050-01-3

Elsewhere

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