chempirical

Tricaprin

C33H62O6CAS 621-71-6554.85 g/mol

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Ester

Properties

Molecular formula
C33H62O6
Molar mass
554.85 g/mol
Exact mass
554.4546 Da
Melting point
25 °C
logP
9.41Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
29

Identifiers

CAS number
621-71-6
SMILES
CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC
InChIKey
LADGBHLMCUINGV-UHFFFAOYSA-N
InChI
InChI=1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3

Weigh it out

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

Names and synonyms

25 names · show all
  • Decanoic acid, 1,1′,1′′-(1,2,3-propanetriyl) ester
  • Decanoin, tri-
  • Decanoic acid, 1,2,3-propanetriyl ester
  • Caprin, tri-
  • Glycerol tridecanoate
  • Tricapric glyceride
  • Glycerol tricaprin
  • Tridecanoin
  • Capric acid triglyceride
  • Dynasan 110
  • Glyceryl tricaprate
  • Glycerol tricaprate
  • Glycerin tridecanoate
  • Panacet 1000
  • Tri(decanoyl)glycerol
  • Triglyceride DDD
  • Glycerin tricaprate
  • Actor M 2
  • Captex 1000
  • NSC 147475
  • Capric triglyceride
  • Decanoic acid triglyceride
  • Tricapryl glyceride
  • Glyceryl tridecanoate
  • 2,3-Di(decanoyloxy)propyl decanoate

Work with Tricaprin

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

Axona538-23-8100 % similar Trilaurin538-24-9100 % similar Stearin555-43-1100 % similar Tripalmitin555-44-2100 % similar Triolein122-32-785 % similar (±)-1,2-Dipalmitoylglycerol40290-32-279 % similar 1,2-Dioctanoyl-sn-glycerol60514-48-979 % similar Trihydroxystearin139-44-678 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook