chempirical

Methyl 10-undecenoate

C12H22O2CAS 111-81-9198.31 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C12H22O2
Molar mass
198.31 g/mol
Exact mass
198.1620 Da
Density
0.8826 g/mL (at 20 °C)
Melting point
−27.5 °C
Boiling point
248 °C
logP
3.47Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
9

Identifiers

CAS number
111-81-9
SMILES
C=CCCCCCCCCC(=O)OC
InChIKey
KISVAASFGZJBCY-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3

Weigh it out

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

Names and synonyms

9 names
  • 10-Undecenoic acid, methyl ester
  • 10-Hendecenoic acid methyl ester
  • Methyl undecenoate
  • Undecylenic acid methyl ester
  • Methyl 10-undecylenate
  • Maskod MNS 01-10
  • Methyl undec-10-enylate
  • NSC 1273
  • Methyl undec-10-enoate

Work with Methyl 10-undecenoate

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

Methyl 5-hexenoate2396-80-789 % similar Dimethyl sebacate106-79-669 % similar 1,12-Dimethyl dodecanedioate1731-79-969 % similar Dimethyl pimelate1732-08-769 % similar Dimethyl suberate1732-09-869 % similar Dimethyl azelate1732-10-169 % similar Dimethyl adipate627-93-065 % similar Ethyl 10-undecenoate692-86-464 % similar

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

Same formula

4,7-Dimethyl-5-decyn-4,7-diol126-87-4 Citronellyl acetate150-84-5 Menthyl acetate16409-45-3 ε-Dodecalactone16429-21-3 1-Octen-3-yl butyrate16491-54-6 [1,1′-Bicyclohexyl]-4,4′-diol20601-38-1 γ-Dodecalactone2305-05-7 Menthyl acetate2623-23-6

Elsewhere

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