chempirical

5-Methylhexanoic acid

C7H14O2CAS 628-46-6130.19 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C7H14O2
Molar mass
130.19 g/mol
Exact mass
130.0994 Da
Density
0.914 g/mL (at 20 °C)
Melting point
below −25 °C
Boiling point
216 °C
logP
1.90Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
628-46-6
SMILES
CC(C)CCCC(=O)O
InChIKey
MHPUGCYGQWGLJL-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

Weigh it out

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

Names and synonyms

6 names
  • Hexanoic acid, 5-methyl-
  • Caproic acid, δ-methyl-
  • Isoenanthic acid
  • 5-Methylhexylic acid
  • 5-Methylcaproic acid
  • NSC 1075

Work with 5-Methylhexanoic 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isostearic acid2724-58-584 % similar 4-Methylpentanoic acid646-07-175 % similar Cyclohexanebutanoic acid4441-63-859 % similar Glutaric acid110-94-157 % similar Pimelic acid111-16-054 % similar Sebacic acid111-20-654 % similar Pentadecanedioic acid1460-18-054 % similar Heptadecanedioic acid2424-90-054 % similar

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

Same formula

Propyl butyrate105-66-8 Methyl hexanoate106-70-7 4-Methoxy-4-methyl-2-pentanone107-70-0 Ethyl isovalerate108-64-5 Enanthic acid111-14-8 2,2-Dimethylpentanoic acid1185-39-3 Isoamyl acetate123-92-2 tert-Butyl propionate20487-40-5

Elsewhere

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