Monomethyl sebacate

C11H20O4CAS 818-88-2216.28 g/mol

OOOOH
Carboxylic acidEster

Properties

Molecular formula
C11H20O4
Molar mass
216.28 g/mol
Exact mass
216.1362 Da
Melting point
35–40 °C
Boiling point
150 °C (at 0.8 Torr)
logP
2.36Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
9

Identifiers

CAS number
818-88-2
SMILES
COC(=O)CCCCCCCCC(=O)O
InChIKey
OSYQOBUUFRGFNG-UHFFFAOYSA-N
InChI
InChI=1S/C11H20O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h2-9H2,1H3,(H,12,13)

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

Names and synonyms

11 names
  • Decanedioic acid, 1-methyl ester
  • Sebacic acid, monomethyl ester
  • Decanedioic acid, monomethyl ester
  • Sebacic acid, methyl ester
  • Decanedioic acid methyl hydrogen ester
  • 9-(Carbomethoxy)nonanoic acid
  • Monomethyl decanedioate
  • Methyl hydrogen sebacate
  • Methyl 9-carboxynonanoate
  • 9-(Methoxycarbonyl)nonanoic acid
  • 10-Methoxy-10-oxodecanoic acid

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Similar compounds

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

Same formula

Elsewhere