1,3-Cyclotetradecanedione, 2-tetradecyl-
Basic information
- CAS
117384-40-4- Standard SMILES
CCCCCCCCCCCCCCC1C(=O)CCCCCCCCCCCC1=O- InChIKey
GYQBCEGPNBEPRR-UHFFFAOYSA-N- Molecular formula
- C28H52O2
- Average molar mass
- 420.7 g/mol
- Monoisotopic mass
- 420.3967309
Names & identifiers
- Preferred name
- 1,3-Cyclotetradecanedione, 2-tetradecyl-
- IUPAC
- 2-tetradecylcyclotetradecane-1,3-dione
Names & synonyms
117384-40-41,3-Cyclotetradecanedione, 2-tetradecyl-2-tetradecylcyclotetradecane-1,3-dioneSCHEMBL7167062DTXSID00461475
Database identifiers
- CAS
117384-40-4- PubChem CID
- 11293077
- DTXSID
DTXSID00461475
Properties
Computed structural properties
- XLogP
- 11.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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