2,3-dimethoxy-5-methyl-6-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
362-45-8- Standard SMILES
COC1=C(OC)C(=O)C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)=C(C)C1=O- InChIKey
KMBWCXAUPFWDKK-PTGBLXJZSA-N- Molecular formula
- C29H48O4
- Average molar mass
- 460.7 g/mol
- Monoisotopic mass
- 460.35526001
Names & identifiers
- Preferred name
- 2,3-dimethoxy-5-methyl-6-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2,3-dimethoxy-5-methyl-6-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione
Names & synonyms
NSC2269942,3-dimethoxy-5-methyl-6-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dioneNSC-226994H6CoQ42,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]-2,3-Dimethoxy-5-methyl-6-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]benzo-1,4-quinone2,3-dimethoxy-5-methyl-6-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-1,4-benzoquinone2,4-dione, 2,3-dimethoxy-5-methyl-6-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]-
Database identifiers
- CAS
362-45-8- PubChem CID
- 5476367
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 739
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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