Dicetyl malonate
Basic information
- CAS
4219-54-9- Standard SMILES
CCCCCCCCCCCCCCCCOC(=O)CC(=O)OCCCCCCCCCCCCCCCC- InChIKey
DLQPKVNBNGRICI-UHFFFAOYSA-N- Molecular formula
- C35H68O4
- Average molar mass
- 552.9 g/mol
- Monoisotopic mass
- 552.51176065
Names & identifiers
- Preferred name
- Dicetyl malonate
- IUPAC
- dihexadecyl propanedioate
Names & synonyms
dicetyl malonate4219-54-9NSC-873MALONIC ACID, DIHEXADECYL ESTER1BE23L03FY1-Hexadecanol, malonate (2:1)Propanedioic acid, 1,3-dihexadecyl esterdihexadecyl propanedioateNSC873dihexadecyl propane-1,3-dioatedihexadecyl malonateUNII-1BE23L03FY
Show more names
SCHEMBL235596DTXSID10277105DLQPKVNBNGRICI-UHFFFAOYSA-NAKOS024390683ST51045939Q27252194
Database identifiers
- CAS
4219-54-9- PubChem CID
- 219487
- DTXSID
DTXSID10277105- UNII
- 1BE23L03FY
- Nikkaji
- J2.781.493J
Properties
Computed structural properties
- XLogP
- 15.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 34
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 461
Related reactions
1 records
Compound notes
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