chempirical

Isodecyl pelargonate

C19H38O2CAS 109-32-0298.51 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C19H38O2
Molar mass
298.51 g/mol
Exact mass
298.2872 Da
logP
6.28Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
15

Identifiers

CAS number
109-32-0
SMILES
CCCCCCCCC(=O)OCCCCCCCC(C)C
InChIKey
GBLPOPTXAXWWPO-UHFFFAOYSA-N
InChI
InChI=1S/C19H38O2/c1-4-5-6-7-10-13-16-19(20)21-17-14-11-8-9-12-15-18(2)3/h18H,4-17H2,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • Nonanoic acid, 8-methylnonyl ester
  • 1-Nonanol, 8-methyl-, nonanoate
  • Emolein
  • Emery 2911
  • AS 2328
  • Pelargonic acid isodecyl ester

Work with Isodecyl pelargonate

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

Isoamyl octanoate2035-99-682 % similar Isoamyl laurate6309-51-982 % similar Isoamyl hexanoate2198-61-079 % similar Dioctyl adipate123-79-575 % similar Decyl decanoate1654-86-075 % similar Dioctyl decanedioate2432-87-375 % similar Stearyl stearate2778-96-375 % similar Myristyl myristate3234-85-375 % similar

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

Same formula

Methyl stearate112-61-8 Ethyl heptadecanoate14010-23-2 Isopropyl palmitate142-91-6 Nonadecylic acid646-30-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook