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Ingredients

(3r,3ar,6s,7ar)-6-hydroxy-3,6-dimethyl-3a,4,7,7a-tetrahydro-3h-benzofuran-2,5-dione

C10H14O4

Entity Type
Ingredients
Relation Groups
4
Relation Preview
26

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(3r,3ar,6s,7ar)-6-hydroxy-3,6-dimethyl-3a,4,7,7a-tetrahydro-3h-benzofuran-2,5-dione
Molecular Formula
C10H14O4
Molecular Weight
No data
Canonical SMILES
CC1C2CC(=O)C(CC2OC1=O)(C)O
Isomeric SMILES
C[C@@H]1[C@H]2CC(=O)[C@@](C[C@H]2OC1=O)(C)O
InChI
InChI=1S/C10H14O4/c1-5-6-3-8(11)10(2,13)4-7(6)14-9(5)12/h5-7,13H,3-4H2,1-2H3/t5-,6-,7-,10+/m1/s1
Oral Bioavailability
104.942
Drug Likeness
0.568
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data