chempirical

Miglyol 840

C39H80O10CAS 77466-09-2709.06 g/mol

Open in Covalent MOL file
OOHOOHOOHOOHOHHO
AlcoholCarboxylic acid

Properties

Molecular formula
C39H80O10
Molar mass
709.06 g/mol
Exact mass
708.5751 Da
logP
10.65Crippen estimate
Polar surface area
189.7 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
29

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
77466-09-2
SMILES
CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCCC(=O)O.CC(CO)O
InChIKey
PWEOPMBMTXREGV-UHFFFAOYSA-N
InChI
InChI=1S/2C10H20O2.2C8H16O2.C3H8O2/c2*1-2-3-4-5-6-7-8-9-10(11)12;2*1-2-3-4-5-6-7-8(9)10;1-3(5)2-4/h2*2-9H2,1H3,(H,11,12);2*2-7H2,1H3,(H,9,10);3-5H,2H2,1H3

Weigh it out

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

Work with Miglyol 840

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 stearate11099-07-372 % similar Glyceryl caprylate caprate65381-09-172 % similar Glyceryl behenate77538-19-372 % similar Pentadecylic acid1002-84-266 % similar Enanthic acid111-14-866 % similar Pelargonic acid112-05-066 % similar Undecylic acid112-37-866 % similar Behenic acid112-85-666 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook