Tocoquinone-1
Basic information
- CAS
2134-78-3- Standard SMILES
CC(C)=CCC1=C(C)C(=O)C(C)=C(C)C1=O- InChIKey
QKMDHZQFYAODOU-UHFFFAOYSA-N- Molecular formula
- C14H18O2
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.13067981
Names & identifiers
- Preferred name
- Tocoquinone-1
- IUPAC
- 2,3,5-trimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
- English name
- 2,3,5-Trimethyl-6-(3-methyl-2-butenyl)-p-benzoquinone
- Molecular formula
- C14H18O2
- Molecular weight
- 218.29
Names & synonyms
2134-78-3Tocoquinone-1NSC3262302,3,5-Trimethyl-6-(3-methyl-2-butenyl)-p-benzoquinoneSCHEMBL11358426DTXSID70318124NSC-3262302,3,5-TRIMETHYL-6-(3-METHYLBUT-2-EN-1-YL)CYCLOHEXA-2,5-DIENE-1,4-DIONE2,4-dione, 2,3,5-trimethyl-6-(3-methyl-2-butenyl)-p-Benzoquinone,3,5-trimethyl-6-(3-methyl-2-butenyl)-2,3,6-trimethyl-5(3-methyl-2-butenyl)-1,4-benzoquinone2,3,5-trimethyl-6-(3-methyl-but-2-enyl)-[1,4]benzoquinone
Show more names
2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-6-(3-methyl-2-buten-1-yl)-
Database identifiers
- CAS
2134-78-3- PubChem CID
- 331735
- DTXSID
DTXSID70318124- Nikkaji
- J104.494J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 441
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Related reactions
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Compound notes
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