{2-hydroxy-1-[3-(tetrahydropyran-2-yloxy)octyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yloxy}acetic acid

HCID 90281645

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

Related reactions

3 records

Compound notes

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