chempirical

n-Caproic anhydride

C12H22O3CAS 2051-49-2214.30 g/mol

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OOO
Acid anhydride

Properties

Molecular formula
C12H22O3
Molar mass
214.30 g/mol
Exact mass
214.1569 Da
Density
0.924 g/mL (at 15 °C)
Melting point
−41 °C
Boiling point
130–131 °C (at 15 Torr)
logP
3.22Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
8

Identifiers

CAS number
2051-49-2
SMILES
CCCCCC(=O)OC(=O)CCCCC
InChIKey
PKHMTIRCAFTBDS-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O3/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2/h3-10H2,1-2H3

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Names and synonyms

10 names
  • Hexanoic anhydride
  • Hexanoic acid, 1,1′-anhydride
  • Hexanoic acid, anhydride
  • Caproic acid anhydride
  • Caproic anhydride
  • Capronic acid anhydride
  • Hexanoyl anhydride
  • Capronic anhydride
  • n-Hexanoic acid anhydride
  • n-Hexanoic anhydride

Work with n-Caproic anhydride

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

Decanoic anhydride2082-76-095 % similar Palmitic anhydride623-65-495 % similar Heptanoic anhydride626-27-795 % similar Stearic anhydride638-08-495 % similar Valeric anhydride2082-59-986 % similar Oleic anhydride24909-72-677 % similar Dilauroyl peroxide105-74-871 % similar Adipic anhydride2035-75-870 % similar

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

Same formula

Bis(3-ethyl-3-oxetanylmethyl) ether18934-00-4 Ethyl 2-acetyloctanoate29214-60-6 2-[[(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]acetic acid40248-63-3 Trimethylolpropane diallyl ether682-09-7

Elsewhere

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