chempirical

Monooctyl maleate

C12H20O4CAS 2370-71-0228.29 g/mol

Open in Covalent MOL file
OOOOH
AlkeneCarboxylic acidEster

Properties

Molecular formula
C12H20O4
Molar mass
228.29 g/mol
Exact mass
228.1362 Da
Melting point
32–32.5 °C
logP
2.53Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2370-71-0
SMILES
CCCCCCCCOC(=O)/C=CC(=O)O
InChIKey
VTWGIDKXXZRLGH-HJWRWDBZSA-N
InChI
InChI=1S/C12H20O4/c1-2-3-4-5-6-7-10-16-12(15)9-8-11(13)14/h8-9H,2-7,10H2,1H3,(H,13,14)/b9-8-

Weigh it out

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

Names and synonyms

5 names
  • 2-Butenedioic acid (2Z)-, 1-octyl ester
  • Maleic acid, monooctyl ester
  • 2-Butenedioic acid (Z)-, monooctyl ester
  • Maleic acid, octyl ester
  • 2-Butenedioic acid (2Z)-, monooctyl ester

Work with Monooctyl maleate

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

Monobutyl maleate925-21-388 % similar Dihexyl maleate16064-83-877 % similar Di-n-octyl maleate2915-53-977 % similar Monoethyl fumarate2459-05-460 % similar Sodium stearyl fumarate4070-80-859 % similar Hexadecyl acrylate13402-02-357 % similar Decyl acrylate2156-96-957 % similar Lauryl acrylate2156-97-057 % similar

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

Same formula

1,2-Diethyl 1,2-cyclohexanedicarboxylate10138-59-7 trans-4-tert-Butoxycarbonyl-cyclohexane carboxylic acid1021273-74-4 Dibutyl fumarate105-75-9 Dibutyl maleate105-76-0 1,1′-(2-Butene-1,4-diyl) dibutanoate1572-84-5 Traumatic acid6402-36-4 2-Ethylhexyl maleate7423-42-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook