Basic information
- Standard SMILES
CCCC1=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)C(C)=CC1=O- InChIKey
PCYKEGSVQBMWMT-BOYVUMAVSA-N- Molecular formula
- C30H52O3
- Average molar mass
- 460.7 g/mol
- Monoisotopic mass
- 460.39164552
Names & identifiers
- Preferred name
- (R,R,R)-3-(3-hydroxy-3,7,11,15-tetramethyl-hexadecyl)-5-methyl-2-propyl-[1,4]benzoquinone
- IUPAC
- 3-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-5-methyl-2-propylcyclohexa-2,5-diene-1,4-dione
Names & synonyms
SCHEMBL3048097PCYKEGSVQBMWMT-BOYVUMAVSA-N(R,R,R)-3-(3-hydroxy-3,7,11,15-tetramethyl-hexadecyl)-5-methyl-2-propyl-[1,4]benzoquinone
Database identifiers
- PubChem CID
- 58771205
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 685
Related reactions
1 records
Compound notes
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