Basic information
- CAS
87147-61-3- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)[O-].[Ca+2]- InChIKey
ZCZLQYAECBEUBH-UHFFFAOYSA-L- Molecular formula
- C36H66CaO4
- Average molar mass
- 603 g/mol
- Monoisotopic mass
- 602.4587014
Names & identifiers
- Preferred name
- Calciumoleate
- IUPAC
- calcium bis(octadec-9-enoate)
Names & synonyms
CALCIUMOLEATE87147-61-3Calcium dioctadec-9-enoate9-Octadecenoic acid(9Z)-, calcium salt (2:1)SCHEMBL29196DTXSID1010157829-Octadecenoic acid, calcium salt (2:1)DB-042612NS00113739
Database identifiers
- CAS
87147-61-3- PubChem CID
- 8877
- DTXSID
DTXSID101015782
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 28
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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