4-Ethyloctanoic acid

C₁₀H₂₀O₂CAS 16493-80-4172.27 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₀H₂₀O₂
Molar mass: 172.27 g/mol
Exact mass: 172.1463 Da
Boiling point: 142–143 °C (at 10 Torr)
logP: 3.07Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 7

Identifiers

CAS number

16493-80-4

SMILES

CCCCC(CC)CCC(=O)O

InChIKey

PWKJMPFEQOHBAC-UHFFFAOYSA-N

InChI

InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)

Weigh it out

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

Names and synonyms

1 names

Octanoic acid, 4-ethyl-

Work with 4-Ethyloctanoic acid

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

4-Methyloctanoic acid54947-74-962 % similar Cypionic acid140-77-260 % similar Cyclohexanepropanoic acid701-97-358 % similar Valeric acid109-52-457 % similar 4-Methylnonanoic acid45019-28-156 % similar Caproic acid142-62-155 % similar Pentadecylic acid1002-84-253 % similar Enanthic acid111-14-853 % similar

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

Same formula

2-Ethylhexyl acetate103-09-3 Isobutyl hexanoate105-79-3 Ethyl octanoate106-32-1 Hydroxycitronellal107-75-5 Octyl acetate112-14-1 1,1-Diethoxycyclohexane1670-47-9 Methyl nonanoate1731-84-6 Pentyl pentanoate2173-56-0

Elsewhere

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