Ethyl 2-octynoate

C₁₀H₁₆O₂CAS 10519-20-7168.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₆O₂
Molar mass: 168.24 g/mol
Exact mass: 168.1150 Da
Boiling point: 84–85 °C (at 6 Torr)
logP: 2.13Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H317 May cause an allergic skin reactionSensitization, Skin

Hazardous Chemical Information System (HCIS), Safe Work Australia, via PubChem.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

10519-20-7

SMILES

CCCCCC#CC(=O)OCC

InChIKey

QPMDWYXUSMRVKT-UHFFFAOYSA-N

InChI

InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-7H2,1-2H3

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Names and synonyms

3 names

2-Octynoic acid, ethyl ester
NSC 74485
Ethyl pentylpropiolate

Work with Ethyl 2-octynoate

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-nonynoate10031-92-297 % similar Methyl 2-octynoate111-12-667 % similar Ethyl 2-pentynoate55314-57-359 % similar Diethyl acetylenedicarboxylate762-21-059 % similar Ethyl 2-butynoate4341-76-852 % similar 2-Octynoic acid5663-96-751 % similar Ethyl hexanoate123-66-046 % similar 6-Dodecyne6975-99-145 % similar

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

Same formula

Cyclohexyl methacrylate101-43-9 Methyl 2-nonynoate111-80-8 Ethyl cyclohexylideneacetate1552-92-7 1-Methylcyclopentyl methacrylate178889-45-7 (1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one1845-25-6 (1R,2R,5R)-(+)-2-Hydroxy-3-pinanone24047-72-1 2-Propenoic acid 1-ethylcyclopentyl ester326925-69-3 Geranic acid459-80-3

Elsewhere

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