chempirical

Dimethyl pimelate

C9H16O4CAS 1732-08-7188.22 g/mol

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Ester

Properties

Molecular formula
C9H16O4
Molar mass
188.22 g/mol
Exact mass
188.1049 Da
Melting point
−21 °C
Boiling point
120 °C
logP
1.28Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Identifiers

CAS number
1732-08-7
SMILES
COC(=O)CCCCCC(=O)OC
InChIKey
SHWINQXIGSEZAP-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Heptanedioic acid, 1,7-dimethyl ester
  • Pimelic acid, dimethyl ester
  • Heptanedioic acid, dimethyl ester
  • Dimethyl heptanedioate
  • Dimethyl 1,7-heptanedioate
  • NSC 52563

Work with Dimethyl pimelate

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

1,12-Dimethyl dodecanedioate1731-79-9100 % similar Dimethyl suberate1732-09-8100 % similar Dimethyl azelate1732-10-1100 % similar Dimethyl adipate627-93-094 % similar Rhodasolv RPDE NA95481-62-289 % similar Dimethyl glutarate1119-40-089 % similar Methyl heptanoate106-73-078 % similar Methyl decanoate110-42-978 % similar

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

Same formula

Azelaic acid123-99-9 Diisopropyl malonate13195-64-7 1,3-Diethyl 2-ethylpropanedioate133-13-1 Dipropylmalonic acid1636-27-7 Dimethyl diethylmalonate27132-23-6 Ethyl 3,3-diethoxy-2-propenoate32002-24-7 1-(1,1-Dimethylethyl) 3-ethyl propanedioate32864-38-3 1-Ethyl heptanedioate33018-91-6

Elsewhere

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