Ditridecyl dodecanedioate
Basic information
- CAS
27742-10-5- Standard SMILES
CCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCCCCCCC- InChIKey
XEEGJDISKZUVQO-UHFFFAOYSA-N- Molecular formula
- C38H74O4
- Average molar mass
- 595 g/mol
- Monoisotopic mass
- 594.55871084
Names & identifiers
- Preferred name
- Ditridecyl dodecanedioate
- IUPAC
- ditridecyl dodecanedioate
- English name
- ditridecyl dodecanedioate
- Molecular formula
- C38H74O4
- Molecular weight
- 594.99
Names & synonyms
Ditridecyl dodecanedioate27742-10-5EINECS 248-634-9SCHEMBL28557DTXSID00182092XEEGJDISKZUVQO-UHFFFAOYSA-NNS00028362Dodecanedioic acid ditridecyl esterDodecanedioic acid, 1,12-ditridecyl ester
Database identifiers
- CAS
27742-10-5- PubChem CID
- 119710
- DTXSID
DTXSID00182092- EC Number
- 248-634-9
- Nikkaji
- J250.584C
Properties
Computed structural properties
- XLogP
- 16.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 37
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 499
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Related reactions
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Compound notes
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