Glyceryl caprylate caprate

C₂₁H₄₄O₇CAS 65381-09-1408.58 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₂₁H₄₄O₇
Molar mass: 408.58 g/mol
Exact mass: 408.3087 Da
logP: 3.98Crippen estimate
Polar surface area: 135.3 Å²
H-bond donors / acceptors: 5 / 5
Rotatable bonds: 16

Identifiers

CAS number

65381-09-1

SMILES

CCCCCCCC(=O)O.CCCCCCCCCC(=O)O.OCC(O)CO

InChIKey

STORWMDPIHOSMF-UHFFFAOYSA-N

InChI

InChI=1S/C10H20O2.C8H16O2.C3H8O3/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;4-1-3(6)2-5/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);3-6H,1-2H2

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Names and synonyms

1 names

Decanoic acid, ester with 1,2,3-propanetriol octanoate

Work with Glyceryl caprylate caprate

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

Glyceryl behenate77538-19-3100 % similar 12-Hydroxystearic acid36377-33-074 % similar Enanthic acid111-14-870 % similar Pelargonic acid112-05-070 % similar Caprylic acid124-07-270 % similar Lauric acid143-07-770 % similar Heneicosylic acid2363-71-570 % similar Tricosylic acid2433-96-770 % similar

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

Elsewhere

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