chempirical

Diisopropyl sebacate

C16H30O4CAS 7491-02-3286.41 g/mol

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Ester

Properties

Molecular formula
C16H30O4
Molar mass
286.41 g/mol
Exact mass
286.2144 Da
logP
4.01Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
11

Identifiers

CAS number
7491-02-3
SMILES
CC(C)OC(=O)CCCCCCCCC(=O)OC(C)C
InChIKey
XFKBBSZEQRFVSL-UHFFFAOYSA-N
InChI
InChI=1S/C16H30O4/c1-13(2)19-15(17)11-9-7-5-6-8-10-12-16(18)20-14(3)4/h13-14H,5-12H2,1-4H3

Weigh it out

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

Names and synonyms

7 names
  • Decanedioic acid, 1,10-bis(1-methylethyl) ester
  • Sebacic acid, diisopropyl ester
  • Decanedioic acid, bis(1-methylethyl) ester
  • Wickenol 117
  • Dermol DIPS
  • Schercemol DIS
  • IPSE

Work with Diisopropyl sebacate

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

Diisopropyl adipate6938-94-995 % similar Isopropyl myristate110-27-081 % similar Isopropyl palmitate142-91-681 % similar Diisopropyl succinate924-88-977 % similar Isopropyl hexanoate2311-46-877 % similar Isopropyl butanoate638-11-965 % similar Diisopropyl malonate13195-64-763 % similar Isopropyl propionate637-78-558 % similar

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

Same formula

2,5-Dimethyl-2,5-di(tert-butylperoxy)hexyne-31068-27-5 Dipropyl sebacate15419-91-7 Thapsic acid505-54-4 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate6846-50-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook