2-(12-Hydroxyoctadec-9-enoyloxy)propyl 12-hydroxyoctadec-9-enoate
Basic information
- CAS
56414-56-3- Standard SMILES
CCCCCCC(O)CC=CCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC=CCC(O)CCCCCC- InChIKey
OMERZWZBMKPVFL-UHFFFAOYSA-N- Molecular formula
- C39H72O6
- Average molar mass
- 637 g/mol
- Monoisotopic mass
- 636.53289001
Names & identifiers
- Preferred name
- 2-(12-Hydroxyoctadec-9-enoyloxy)propyl 12-hydroxyoctadec-9-enoate
- IUPAC
- 2-(12-hydroxyoctadec-9-enoyloxy)propyl 12-hydroxyoctadec-9-enoate
Names & synonyms
56414-56-3OMERZWZBMKPVFL-UHFFFAOYSA-NDTXSID501179605NS00054157Propane-1,2-diyl bis(12-hydroxyoctadec-9-enoate)1,1a(2)-(1-Methyl-1,2-ethanediyl) bis(12-hydroxy-9-octadecenoate)
Database identifiers
- CAS
56414-56-3- PubChem CID
- 91845
- DTXSID
DTXSID501179605- EC Number
- 260-163-0
Properties
Computed structural properties
- XLogP
- 12.3
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 35
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 718
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…