Basic information
- Standard SMILES
CCCCCC(CCC1C(O)CC2Cc3c(cccc3OCC(=O)O)CC21)OC1CCCCO1- InChIKey
QXWVYINXPMPJMA-UHFFFAOYSA-N- Molecular formula
- C28H42O6
- Average molar mass
- 474.6 g/mol
Names & identifiers
- Preferred name
- {2-hydroxy-1-[3-(tetrahydropyran-2-yloxy)octyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yloxy}acetic acid
- IUPAC
- 2-[[2-hydroxy-1-[3-(oxan-2-yloxy)octyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
Names & synonyms
SCHEMBL15875676QXWVYINXPMPJMA-UHFFFAOYSA-N{2-Hydroxy-1-[3-(tetrahydro-pyran-2-yloxy)-octyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yloxy}-acetic acid{2-hydroxy-1-[3-(tetrahydropyran-2-yloxy)octyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yloxy}acetic acid
Database identifiers
- PubChem CID
- 90281645
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 626
Related reactions
3 records
Compound notes
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