chempirical

trans-2-Decenoic acid

C10H18O2CAS 72881-27-7170.25 g/mol

Open in Covalent MOL file
OOH
AlkeneCarboxylic acid

Properties

Molecular formula
C10H18O2
Molar mass
170.25 g/mol
Exact mass
170.1307 Da
logP
2.99Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
7
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
72881-27-7
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

2 names
  • Decenoic acid
  • Milk lactone

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

trans-2-Decenoic acid334-49-6

Similar compounds

Dodec-2-enoic acid32466-54-9100 % similar 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 10-Hydroxy-2-decenoic acid14113-05-465 % similar 10-Hydroxy-2-decenoic acid765-01-565 % similar Traumatic acid6402-36-461 % similar

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

Same formula

Methyl 2-nonenoate111-79-5 Linalool oxide1365-19-1 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

Elsewhere

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