Basic information
- CAS
11068-03-4- Standard SMILES
CCCCCC(/C=C/C=C\CCCCCCCC(=O)OC)OO- InChIKey
WWBBEXJQOOTEIL-GDVMHIJESA-N- Molecular formula
- C19H34O4
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.24570956
Overview
RN given refers to (Z,Z)-isomer
Names & identifiers
- Preferred name
- Methyl linoleate hydroperoxide
- IUPAC
- methyl (9Z,11E)-13-hydroperoxyoctadeca-9,11-dienoate
- English name
- methyl 13-hydroperoxy-9,11-octadecadienoate
- Molecular formula
- C19H34O4
- Molecular weight
- 326.47
Names & synonyms
Methyl linoleate hydroperoxideRefChem:925726DTXCID20842DTXSID20208429,11-octadecadienoic acid, 13-hydroperoxy-, methyl ester, (9Z,11E)11068-03-411J6A3P9249,12-Octadecadienoic acid (9Z,12Z)-, methyl ester, hydroperoxide9,12-Octadecadienoic acid (Z,Z)-, methyl ester, hydroperoxide60900-56-3methyl (9Z,11E)-13-hydroperoxyoctadeca-9,11-dienoate13W9041KWU
Show more names
methyl 13-hydroperoxy-9,11-octadecadienoate9,11-Octadecadienoic acid, 13-hydroperoxy-, methyl ester, (9Z,11E)-
methyl 13-hydroperoxy-cis,trans-9,11-octadecadienoate13-MhpodUNII-13W9041KWUNIOSH/RG0160000DTXSID901364761RG01600000(9Z,11E)-methyl linoleate 13-hydroperoxideMethyl-13-hydroperoxy-delta9Z,11E-octadecadienoate
Database identifiers
- CAS
11068-03-4、60900-56-3- PubChem CID
- 5284420
- DTXSID
DTXSID901364761- UNII
- 13W9041KWU
- Nikkaji
- J332.199A
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Boiling point
- 443.4 · 443.4±38.0 °C(Predicted)
- Density
- 0.968 · 0.968±0.06 g/cm3(Predicted)
- pka
- 11.37 · 11.37±0.10(Predicted)
- FDA UNII
- 13 W9041KWU · 13W9041KWU
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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