Basic information
- CAS
6917-54-0- Standard SMILES
COC1=CC(=O)C(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
FLYBTLROCQBHMR-UHFFFAOYSA-N- Molecular formula
- C48H72O3
- Average molar mass
- 697.1 g/mol
- Monoisotopic mass
- 696.54814615
Names & identifiers
- Preferred name
- 5-Methoxy-2-methyl-3-(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
- IUPAC
- 5-methoxy-2-methyl-3-(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
6917-54-0DTXSID90274293
Database identifiers
- CAS
6917-54-0- PubChem CID
- 959
- DTXSID
DTXSID90274293
Properties
Computed structural properties
- XLogP
- 15.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 24
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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