01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 2,4-dimethylpentane-2,4-diol
- Molecular Formula
- C7H16O2
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)(CC(C)(C)O)O
- Isomeric SMILES
- CC(C)(CC(C)(C)O)O
- InChI
- InChI=1S/C7H16O2/c1-6(2,8)5-7(3,4)9/h8-9H,5H2,1-4H3
- Oral Bioavailability
- 80.859
- Drug Likeness
- 0.586
- 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.
Source Herbs
herb ingredient1 Herbs