chempirical

Stearyl stearate

C36H72O2CAS 2778-96-3536.97 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C36H72O2
Molar mass
536.97 g/mol
Exact mass
536.5532 Da
Melting point
62 °C
logP
13.05Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
33

Identifiers

CAS number
2778-96-3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC
InChIKey
NKBWPOSQERPBFI-UHFFFAOYSA-N
InChI
InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3

Weigh it out

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

Names and synonyms

32 names · show all
  • Octadecanoic acid, octadecyl ester
  • Stearic acid, octadecyl ester
  • Octadecyl octadecanoate
  • Octadecyl stearate
  • FE 78-18
  • Cyclochem SS
  • Loxiol G 30
  • Cosmol 1000
  • Rikaflow SS 50
  • Rikemal SL 900
  • Lexol SS
  • Unister M 9676
  • Nissan unister M 9676
  • NJLUB SS
  • Rikemal SL 800
  • 1-Octadecyl octadecanoate
  • Exceparl SS
  • Nissan unister 9676M
  • G 32
  • Brian DPS 60
  • M 9676
  • Rikemal 900A
  • Emalex CC 18
  • Amreps SS
  • Ligalub 36FE
  • Amleps SS
  • Radia 7501
  • Nissan electol WEP 2
  • WEP 2
  • Unister M 9796
  • Nissan unister M 9796
  • VSSE

Work with Stearyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dioctyl adipate123-79-5100 % similar Decyl decanoate1654-86-0100 % similar Dioctyl decanedioate2432-87-3100 % similar Myristyl myristate3234-85-3100 % similar Decyl laurate36528-28-6100 % similar Dinonyl sebacate4121-16-8100 % similar Cetyl palmitate540-10-3100 % similar Hexyl hexanoate6378-65-0100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook