Basic information
- Standard SMILES
CCCOc1cc(O)c(CC)cc1CCC(O)(CC1=CC(=O)OC(C)(C)O1)C1CCCC1- InChIKey
UQHVXDFXOMAASV-UHFFFAOYSA-N- Molecular formula
- C26H38O6
- Average molar mass
- 446.6 g/mol
- Monoisotopic mass
- 446.26683893
Names & identifiers
- Preferred name
- 6-[2-Cyclopentyl-4-(5-ethyl-4-hydroxy-2-propoxy-phenyl)-2-hydroxy-butyl]-2,2-dimethyl-[1,3]dioxin-4-one
- IUPAC
- 6-[2-cyclopentyl-4-(5-ethyl-4-hydroxy-2-propoxyphenyl)-2-hydroxybutyl]-2,2-dimethyl-1,3-dioxin-4-one
Names & synonyms
SCHEMBL1581763UQHVXDFXOMAASV-UHFFFAOYSA-N6-[2-Cyclopentyl-4-(5-ethyl-4-hydroxy-2-propoxy-phenyl)-2-hydroxy-butyl]-2,2-dimethyl-[1,3]dioxin-4-one
Database identifiers
- PubChem CID
- 58764077
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 653
Related reactions
2 records
Compound notes
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