Basic information
- CAS
93841-65-7- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC1(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(CCCCCCC/C=C\CCCCCCCC)=N1- InChIKey
DLZBJVKEAVLIQQ-IUPFWZBJSA-N- Molecular formula
- C58H105NO5
- Average molar mass
- 896.5 g/mol
- Monoisotopic mass
- 895.79927545
Names & identifiers
- Preferred name
- (Z)-(2-(Heptadec-8-enyl)(5H)-oxazol-4-ylidene)bis(methylene) dioleate
- IUPAC
- [2-[(Z)-heptadec-8-enyl]-4-[[(Z)-octadec-9-enoyl]oxymethyl]-5H-1,3-oxazol-4-yl]methyl (Z)-octadec-9-enoate
- English name
- (Z)-[2-(heptadec-8-enyl)(5H)-oxazol-4-ylidene]bis(methylene) dioleate
- Molecular formula
- C58H105NO5
- Molecular weight
- 896.46
Names & synonyms
93841-65-7EINECS 299-035-4(Z)-(2-(Heptadec-8-enyl)(5H)-oxazol-4-ylidene)bis(methylene) dioleateDLZBJVKEAVLIQQ-IUPFWZBJSA-NDTXSID601121809{2-[(8Z)-Heptadec-8-en-1-yl]-4,5-dihydro-1,3-oxazole-4,4-diyl}bis(methylene) (9Z,9'Z)di-octadec-9-enoate9-Octadecenoic acid (9Z)-, [2-(8Z)-8-heptadecenyl-4(5H)-oxazolylidene]bis(methylene) ester(Z)-[2-(heptadec-8-enyl)(5H)-oxazol-4-ylidene]bis(methylene) dioleateBisoleic acid 2-[(Z)-8-heptadecenyl]oxazol-4(5H)-ylidenebis(methylene) ester9-Octadecenoic acid (9Z)-, [2-(8Z)-8-heptadecenyl-4(5H)-oxazolylidene]bis(methylene) ester (9CI)
Database identifiers
- CAS
93841-65-7- PubChem CID
- 44153133
- DTXSID
DTXSID601121809- EC Number
- 299-035-4
- Nikkaji
- J320.552E
Properties
Computed structural properties
- XLogP
- 21.9
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 51
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,100
Physicochemical properties
- Boiling point
- 838.4 · 838.4±60.0 °C(Predicted)
- Density
- 0.93 · 0.93±0.1 g/cm3(Predicted)
- pka
- 3.22 · 3.22±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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