chempirical

Diisopropyl adipate

C12H22O4CAS 6938-94-9230.30 g/mol

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Ester

Properties

Molecular formula
C12H22O4
Molar mass
230.30 g/mol
Exact mass
230.1518 Da
Melting point
−1.1 °C
Boiling point
113–115 °C (at 1.5 Torr)
logP
2.45Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
7

Identifiers

CAS number
6938-94-9
SMILES
CC(C)OC(=O)CCCCC(=O)OC(C)C
InChIKey
ZDQWESQEGGJUCH-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3

Weigh it out

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

Names and synonyms

13 names · show all
  • Hexanedioic acid, 1,6-bis(1-methylethyl) ester
  • Adipic acid, diisopropyl ester
  • Hexanedioic acid, bis(1-methylethyl) ester
  • Isopropyl adipate
  • Ceraphyl 230
  • Wickenol 116
  • Standamul DIPA
  • Nikkol DID
  • NSC 56587
  • Crodamol DA
  • Schercemol DIA
  • Iso adipat
  • Crodamol DA-LQ-(JP)

Work with Diisopropyl adipate

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 sebacate7491-02-395 % similar Diisopropyl succinate924-88-981 % similar Isopropyl hexanoate2311-46-880 % similar Isopropyl myristate110-27-077 % similar Isopropyl stearate112-10-777 % similar Isopropyl palmitate142-91-677 % similar Isopropyl butanoate638-11-968 % similar Diisopropyl malonate13195-64-765 % similar

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

Same formula

Dipropyl adipate106-19-4 Dimethyl sebacate106-79-6 (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate111969-64-3 1,3-Diethyl 2-(1-methylbutyl)propanedioate117-47-5 Dibutyl succinate141-03-7 1,6-Hexanediol diglycidyl ether16096-31-4 Diethyl suberate2050-23-9 Diethyl isoamylmalonate5398-08-3

Elsewhere

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