chempirical

Dicaprylyl carbonate

C17H34O3CAS 1680-31-5286.46 g/mol

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OOO
Carbonate

Properties

Molecular formula
C17H34O3
Molar mass
286.46 g/mol
Exact mass
286.2508 Da
Density
0.895 g/mL (at 22 °C)
Melting point
−18 °C
Boiling point
117–119 °C (at NaN Torr)
logP
5.86Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
14

Identifiers

CAS number
1680-31-5
SMILES
CCCCCCCCOC(=O)OCCCCCCCC
InChIKey
PKPOVTYZGGYDIJ-UHFFFAOYSA-N
InChI
InChI=1S/C17H34O3/c1-3-5-7-9-11-13-15-19-17(18)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

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

Names and synonyms

4 names
  • Carbonic acid, dioctyl ester
  • Dioctyl carbonate
  • Cetiol CC
  • Cetiol DD

Work with Dicaprylyl carbonate

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

Dibutyl carbonate542-52-982 % similar Dipropyl carbonate623-96-165 % similar Heptyl acetate112-06-163 % similar Octyl acetate112-14-163 % similar Decyl acetate112-17-463 % similar Dodecyl acetate112-66-363 % similar Hexyl acetate142-92-763 % similar Nonyl acetate143-13-563 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook