Basic information
- CAS
6917-53-9- Standard SMILES
COC1=CC(=O)C=C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C1=O- InChIKey
AFTBILPWMUSGIN-UHFFFAOYSA-N- Molecular formula
- C47H70O3
- Average molar mass
- 683.1 g/mol
- Monoisotopic mass
- 682.53249609
Names & identifiers
- Preferred name
- 2-Methoxy-6-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl)cyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2-methoxy-6-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)cyclohexa-2,5-diene-1,4-dione
Names & synonyms
6917-53-9DTXSID302742922-methoxy-6-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl)cyclohexa-2,5-diene-1,4-dione
Database identifiers
- CAS
6917-53-9- PubChem CID
- 958
- DTXSID
DTXSID30274292
Properties
Computed structural properties
- XLogP
- 15.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 24
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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