Basic information
- CAS
68441-93-0- Standard SMILES
CCCCC(=O)O.CCCCCCC(=O)O.OCC(CO)(CO)COCC(CO)(CO)CO- InChIKey
IRNRPPMKPGXOOH-UHFFFAOYSA-N- Molecular formula
- C22H46O11
- Average molar mass
- 486.6 g/mol
- Monoisotopic mass
- 486.30401228
Names & identifiers
- Preferred name
- Heptanoic acid, mixed esters with dipentaerythritol and valeric acid
- IUPAC
- heptanoic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;pentanoic acid
Names & synonyms
Dipentaerythritol, ester with valeric acid and enanthylic acidRefChem:145686DTXSID501024282
Database identifiers
- CAS
68441-93-0- PubChem CID
- 110261
Properties
Computed structural properties
- Topological polar surface area
- 205 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 18
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 291
Experimental & physicochemical properties
UVCBUVCB -> EPA TSCA
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHeptanoic acid, mixed esters with dipentaerythritol and valeric acid: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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