chempirical

Isopropyl stearate

C21H42O2CAS 112-10-7326.56 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C21H42O2
Molar mass
326.56 g/mol
Exact mass
326.3185 Da
Melting point
28 °C
Boiling point
207 °C
logP
7.20Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
17

Identifiers

CAS number
112-10-7
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(C)C
InChIKey
ZPWFUIUNWDIYCJ-UHFFFAOYSA-N
InChI
InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h20H,4-19H2,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • Octadecanoic acid, 1-methylethyl ester
  • Stearic acid, isopropyl ester
  • Wickenol 127
  • Emerest 2310
  • Isopropyl octadecanoate
  • Kessco IPS

Work with Isopropyl stearate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isopropyl myristate110-27-0100 % similar Isopropyl palmitate142-91-6100 % similar Isopropyl hexanoate2311-46-896 % similar Isopropyl oleate112-11-884 % similar Diisopropyl sebacate7491-02-381 % similar Diisopropyl adipate6938-94-977 % similar Isopropyl butanoate638-11-971 % similar ε-Dodecalactone16429-21-366 % similar

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

Same formula

Methyl eicosanoate1120-28-1 Heneicosylic acid2363-71-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook