Basic information
- Standard SMILES
CCCCCCCCCCOc1ccc(C(=O)OC2CCc3cc(C(=O)O)ccc3C2)cc1- InChIKey
VYVYBJQGHUWECV-UHFFFAOYSA-N- Molecular formula
- C28H36O5
- Average molar mass
- 452.6 g/mol
Names & identifiers
- Preferred name
- 6-(4'-Decyloxybenzoyloxy)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
- IUPAC
- 6-(4-decoxybenzoyl)oxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Names & synonyms
SCHEMBL8535829VYVYBJQGHUWECV-UHFFFAOYSA-N6-(4'-decyloxybenzoyloxy)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Database identifiers
- PubChem CID
- 19070025
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 583
Related reactions
3 records
Linked notes
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