chempirical

Methyl 2-nonenoate

C10H18O2CAS 111-79-5170.25 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C10H18O2
Molar mass
170.25 g/mol
Exact mass
170.1307 Da
Boiling point
108–109 °C (at 12 Torr)
logP
2.69Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Identifiers

CAS number
111-79-5
SMILES
CCCCCCC=CC(=O)OC
InChIKey
ZWNPUELCBZVMDA-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • 2-Nonenoic acid, methyl ester
  • Neofolione
  • NSC 76416

Work with Methyl 2-nonenoate

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

Methyl (E)-2-octenoate7367-81-996 % similar Methyl 2-hexenoate2396-77-273 % similar Ethyl trans-2-decenoate7367-88-668 % similar Ethyl (E)-2-octenoate7367-82-065 % similar Methyl oleate112-62-960 % similar Methyl palmitoleate1120-25-860 % similar Methyl erucate1120-34-960 % similar Methyl elaidate1937-62-860 % similar

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

Same formula

Hexyl methacrylate142-09-6 Allyl heptanoate142-19-8 9-Decenoic acid14436-32-9 Cyclohexyl butyrate1551-44-6 cis-3-Hexenyl butanoate16491-36-4 (+)-Pinanediol18680-27-8 1-Octen-3-yl acetate2442-10-6 4-Decenoic acid26303-90-2

Elsewhere

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