2-Prenyl-1,4-benzoquinone
Basic information
- CAS
5594-02-5- Standard SMILES
CC(C)=CCC1=CC(=O)C=CC1=O- InChIKey
PJERCKGJJBCWEC-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Overview
2-prenyl-1,4-benzoquinone is a member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which the hydrogen at position 2 has been replaced by a prenyl group. It is functionally related to a 1,4-benzoquinone.
Names & identifiers
- Preferred name
- 2-Prenyl-1,4-benzoquinone
- IUPAC
- 2-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
Names & synonyms
2-prenyl-1,4-benzoquinonePrenylbenzoquinone5594-02-52-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione2-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dioneNSC 1235062-(3-methylbut-2-en-1-yl)-1,4-benzoquinoneprenylquinoneSCHEMBL713259CHEMBL445864CHEBI:35796DTXSID70298497
Show more names
NSC123506NSC-1235062-(3-methyl-but-2-enyl)-[1,4]benzoquinoneQ27104320
Database identifiers
- CAS
5594-02-5- PubChem CID
- 276202
- DTXSID
DTXSID70298497- ChEMBL
CHEMBL445864- ChEBI
CHEBI:35796- Nikkaji
- J93.203E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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