chempirical

Ethyl 10-undecenoate

C13H24O2CAS 692-86-4212.33 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C13H24O2
Molar mass
212.33 g/mol
Exact mass
212.1776 Da
Density
0.877–0.882 g/mL
Melting point
−38 °C
Boiling point
264.5 °C
logP
3.86Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
10

Hazards

Not classified as hazardous under GHS by 236 ECHA notifiers. Aggregated from 236 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
692-86-4
SMILES
C=CCCCCCCCCC(=O)OCC
InChIKey
FXNFFCMITPHEIT-UHFFFAOYSA-N
InChI
InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3H,1,4-12H2,2H3

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Names and synonyms

2 names
  • 10-Undecenoic acid, ethyl ester
  • Ethyl undecenoate

Work with Ethyl 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

Ethyl 4-pentenoate1968-40-777 % similar Diethyl sebacate110-40-771 % similar Diethyl pimelate2050-20-671 % similar Diethyl suberate2050-23-971 % similar Diethyl azelate624-17-971 % similar Diethyl adipate141-28-668 % similar Diethyl glutarate818-38-264 % similar Methyl 10-undecenoate111-81-964 % similar

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

Same formula

Citronellyl propionate141-14-0 Decyl acrylate2156-96-9 2-Decyl acrylic Acid52756-21-5 1-(2-Hydroxy-1-methyl-ethyl)-7A-methyl-octahydro-inden-4-ol64190-52-9 3,7-Diethylnonane-4,6-dione872802-98-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook