01
Ingredients
(6r,7as)-3,6-dimethyl-5,6,7,7a-tetrahydro-4h-benzofuran-2-one
C10H14O2
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (6r,7as)-3,6-dimethyl-5,6,7,7a-tetrahydro-4h-benzofuran-2-one
- Molecular Formula
- C10H14O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1CCC2=C(C(=O)OC2C1)C
- Isomeric SMILES
- C[C@@H]1CCC2=C(C(=O)O[C@H]2C1)C
- InChI
- InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6,9H,3-5H2,1-2H3/t6-,9+/m1/s1
- Oral Bioavailability
- 81.773
- Drug Likeness
- 0.515
- 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
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.