trans-2-Decenoic acid

C₁₀H₁₈O₂CAS 334-49-6170.25 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₁₀H₁₈O₂
Molar mass: 170.25 g/mol
Exact mass: 170.1307 Da
Boiling point: 120 °C (at 2 Torr)
logP: 2.99Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 7
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

334-49-6

SMILES

CCCCCCC/C=C/C(=O)O

InChIKey

WXBXVVIUZANZAU-CMDGGOBGSA-N

InChI

InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8+

Weigh it out

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

Names and synonyms

4 names

2-Decenoic acid, (2E)-
2-Decenoic acid, (E)-
(2E)-2-Decenoic acid
(E)-2-Decenoic acid

Work with trans-2-Decenoic acid

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

2-Nonenoic acid3760-11-0100 % similar trans-2-Octenoic acid1871-67-696 % similar 2-Hexenoic acid1191-04-471 % similar trans-2-Hexenoic acid13419-69-771 % similar Queen bee acid14113-05-465 % similar 10-Hydroxy-2-decenoic acid765-01-565 % similar Traumatic acid6402-36-461 % similar 3-Decen-2-one10519-33-259 % similar

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

Same formula

Methyl 2-nonenoate111-79-5 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

Elsewhere

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