Basic information
- CAS
69226-98-8- Standard SMILES
CC(CO)(CO)CO.CCCCCCCC(=O)O.CCCCCCCCCC(=O)O- InChIKey
WDCYQKYMKZCPHM-UHFFFAOYSA-N- Molecular formula
- C23H48O7
- Average molar mass
- 436.6 g/mol
- Monoisotopic mass
- 436.34000387
Names & identifiers
- Preferred name
- Decanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate
- IUPAC
- decanoic acid;2-(hydroxymethyl)-2-methylpropane-1,3-diol;octanoic acid
Names & synonyms
Trimethylolethane, caprylate caprate triesterEINECS 273-922-6Trimethylolethane octanoate decanoateDecanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoateRefChem:131209273-922-669226-98-8
Database identifiers
- CAS
69226-98-8- PubChem CID
- 112261
- EC Number
- 273-922-6
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 250
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDecanoic acid, ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol octanoate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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