Calcium 2-ethylhexanoate 8-methylnonanoate (1/1/1)
Basic information
- CAS
94247-34-4- Standard SMILES
CC(C)CCCCCCC(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2]- InChIKey
HWXXMFHJDSTHBO-UHFFFAOYSA-L- Molecular formula
- C18H34CaO4
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.2083004
Names & identifiers
- Preferred name
- Calcium 2-ethylhexanoate 8-methylnonanoate (1/1/1)
- IUPAC
- calcium;2-ethylhexanoate;8-methylnonanoate
Names & synonyms
DTXSID90915917HWXXMFHJDSTHBO-UHFFFAOYSA-LCalcium 2-ethylhexanoate 8-methylnonanoate (1/1/1)
Database identifiers
- CAS
94247-34-4- PubChem CID
- 138397232
- DTXSID
DTXSID90915917
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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