chempirical

Ethyl 2-nonynoate

C11H18O2CAS 10031-92-2182.26 g/mol

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AlkyneEster

Properties

Molecular formula
C11H18O2
Molar mass
182.26 g/mol
Exact mass
182.1307 Da
logP
2.52Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
10031-92-2
SMILES
CCCCCCC#CC(=O)OCC
InChIKey
BFZNMUGAZYAMTG-UHFFFAOYSA-N
InChI
InChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-8H2,1-2H3

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Names and synonyms

2 names
  • 2-Nonynoic acid, ethyl ester
  • NSC 190985

Work with Ethyl 2-nonynoate

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

Ethyl 2-octynoate10519-20-797 % similar Methyl 2-nonynoate111-80-868 % similar Methyl 2-octynoate111-12-665 % similar Ethyl 2-pentynoate55314-57-358 % similar Diethyl acetylenedicarboxylate762-21-057 % similar Ethyl 2-butynoate4341-76-850 % similar 2-Octynoic acid5663-96-750 % similar Ethyl heptanoate106-30-947 % similar

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

Same formula

Geranyl formate105-86-2 10-Undecynoic acid2777-65-3 (Z)-3-Hexenyl tiglate67883-79-8

Elsewhere

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