Basic information
- Standard SMILES
CCCCCC(=O)OC(CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O- InChIKey
VHASUGKRGGQEIQ-UHFFFAOYSA-N- Molecular formula
- C22H26O6
- Average molar mass
- 386.4 g/mol
Names & identifiers
- Preferred name
- 2-(1-n-Hexanoyloxy-4-methyl-3-pentenyl)-5,8-dihydroxy-1,4-naphthoquinone
- IUPAC
- [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] hexanoate
Names & synonyms
SCHEMBL8851959VHASUGKRGGQEIQ-UHFFFAOYSA-N2-(1-n-hexanoyloxy-4-methyl-3-pentenyl)-5,8-dihydroxy-1,4-naphthoquinone
Database identifiers
- PubChem CID
- 21468074
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 658
Related reactions
1 records
Compound notes
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