01
- Entity Type
- Ingredients
- Relation Groups
- 1
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 2,2,4-trimethylpentanol
- Molecular Formula
- C8H18O
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)CC(C)(C)CO
- Isomeric SMILES
- CC(C)CC(C)(C)CO
- InChI
- InChI=1S/C8H18O/c1-7(2)5-8(3,4)6-9/h7,9H,5-6H2,1-4H3
- Oral Bioavailability
- 102.332
- Drug Likeness
- 0.620
- 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.