Basic information
- Standard SMILES
CCCc1c(OCCCOc2c(C(C)=O)ccc(OCCCCCC(=O)OC)c2CCC)ccc(C(C)=O)c1O- InChIKey
CCNNSXBOPLKIKX-UHFFFAOYSA-N- Molecular formula
- C32H44O8
- Average molar mass
- 556.7 g/mol
Names & identifiers
- Preferred name
- 6-[4-Acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-propylphenoxy]hexanoic acid methyl ester
- IUPAC
- methyl 6-[4-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-propylphenoxy]hexanoate
Names & synonyms
SCHEMBL10687224CCNNSXBOPLKIKX-UHFFFAOYSA-N6-[4-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-propylphenoxy]hexanoic acid methyl ester
Database identifiers
- PubChem CID
- 14329976
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 20
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 755
Related reactions
3 records
Compound notes
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