Basic information
- CAS
80464-91-1- Standard SMILES
COC1=CC(=O)C(CC=C(C)C)=CC1=O- InChIKey
OFDFNYYEASRABR-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- 2-Methoxy-5-(3-methylbut-2-EN-1-YL)cyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2-methoxy-5-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
Names & synonyms
NSC33988880464-91-1SCHEMBL24071090DTXSID203191062-METHOXY-5-(3-METHYLBUT-2-EN-1-YL)CYCLOHEXA-2,5-DIENE-1,4-DIONENSC-3398882-methoxy-5-(3-methylbut-2-enyl)-1,4-benzoquinone2-Methoxy-5-(3-methylbut-2-en-1-yl)benzo-1,4-quinone
Database identifiers
- CAS
80464-91-1- PubChem CID
- 334497
- DTXSID
DTXSID20319106- Nikkaji
- J518.311A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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