6-Decyl-2,3-diethoxy-5-methyl-1,4-benzoquinone
Basic information
- CAS
118687-86-8- Standard SMILES
CCCCCCCCCCC1=C(C)C(=O)C(OCC)=C(OCC)C1=O- InChIKey
FKCCXLBIGJSYKJ-UHFFFAOYSA-N- Molecular formula
- C21H34O4
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.24570956
Overview
structure in first source
Names & identifiers
- Preferred name
- 6-Decyl-2,3-diethoxy-5-methyl-1,4-benzoquinone
- IUPAC
- 2-decyl-5,6-diethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
- English name
- 6-decyl-2,3-diethoxy-5-methyl-1,4-benzoquinone
- Molecular formula
- C21H34O4
- Molecular weight
- 350.49
Names & synonyms
2,3-di-Eto-dmq118687-86-86-Decyl-2,3-diethoxy-5-methyl-1,4-benzoquinoneDTXSID10152206RefChem:104482DTXCID40746972-decyl-5,6-diethoxy-3-methylcyclohexa-2,5-diene-1,4-dione2,5-Cyclohexadiene-1,4-dione, 2-decyl-5,6-diethoxy-3-methyl-
Database identifiers
- CAS
118687-86-8- PubChem CID
- 195271
- DTXSID
DTXSID10152206
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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