Basic information
- CAS
93918-11-7- Standard SMILES
CC(C)(C)CCCCCC(=O)O.CC(C)CCCCC(=O)O.[Fe]- InChIKey
IFWSNWAGCRMJGQ-UHFFFAOYSA-N- Molecular formula
- C18H36FeO4
- Average molar mass
- 372.3 g/mol
- Monoisotopic mass
- 372.196295
Names & identifiers
- Preferred name
- (Isooctanoato-O)(neodecanoato-O)iron
- IUPAC
- 7,7-dimethyloctanoic acid;iron;6-methylheptanoic acid
Names & synonyms
(Isooctanoato-O)(neodecanoato-O)ironEINECS 299-891-993918-11-7
Database identifiers
- CAS
93918-11-7- PubChem CID
- 56844094
- EC Number
- 299-891-9
Properties
Computed structural properties
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…