Basic information
- CAS
6085-36-5- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)OC(=O)CCCCCCCC=CCCCCCCCC- InChIKey
OCNZHGHKKQOQCZ-UHFFFAOYSA-N- Molecular formula
- C36H66O3
- Average molar mass
- 546.9 g/mol
- Monoisotopic mass
- 546.50119596
Names & identifiers
- Preferred name
- Octadec-9-enoyl octadec-9-enoate
- IUPAC
- octadec-9-enoyl octadec-9-enoate
Names & synonyms
OleicanhydrideMFCD00070026C36H66O3cis-9-Octadecenoic anhydrideoctadec-9-enoyl octadec-9-enoateSCHEMBL43556DTXSID8013403149-Octadecenoic acid, 1,1a(2)-anhydrideDB-046573
Database identifiers
- CAS
6085-36-5- PubChem CID
- 90647
- DTXSID
DTXSID801340314
Properties
Computed structural properties
- XLogP
- 14.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 32
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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