7-[(1R,2S)-2-[(1E,3S,5S)-3-Hydroxy-5-methyl-1-nonenyl]-5-oxo-3-cyclopenten-1-yl]-2-heptenoic acid

C₂₂H₃₄O₄CAS 853998-94-4362.51 g/mol

Open in Covalent MOL file

Alcohol Alkene Carboxylic acid Ketone

Properties

Molecular formula: C₂₂H₃₄O₄
Molar mass: 362.51 g/mol
Exact mass: 362.2457 Da
logP: 4.69Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 13

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

853998-94-4

SMILES

CCCCC(C)CC(C=CC1C=CC(=O)C1CCCCC=CC(=O)O)O

InChIKey

CNNBNXXMENIOCQ-UHFFFAOYSA-N

InChI

InChI=1S/C22H34O4/c1-3-4-9-17(2)16-19(23)14-12-18-13-15-21(24)20(18)10-7-5-6-8-11-22(25)26/h8,11-15,17-20,23H,3-7,9-10,16H2,1-2H3,(H,25,26)

Weigh it out

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

Names and synonyms

1 names

7-[2-(3-Hydroxy-5-methylnon-1-enyl)-5-oxocyclopent-3-en-1-yl]hept-2-enoic acid

Work with 7-[(1R,2S)-2-[(1E,3S,5S)-3-Hydroxy-5-methyl-1-nonenyl]-5-oxo-3-cyclopenten-1-yl]-2-heptenoic 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

Limaprost74397-12-967 % similar trans-2-Octenoic acid1871-67-645 % similar Dodec-2-enoic acid32466-54-944 % similar trans-2-Decenoic acid334-49-644 % similar 2-Nonenoic acid3760-11-044 % similar trans-2-Decenoic acid72881-27-744 % similar 2-Hexenoic acid1191-04-437 % similar trans-2-Hexenoic acid13419-69-737 % similar

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

Same formula

Diheptyl phthalate3648-21-3

Elsewhere

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