01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 3,3-dimethylhexane
- Molecular Formula
- C8H18
- Molecular Weight
- No data
- Canonical SMILES
- CCCC(C)(C)CC
- Isomeric SMILES
- CCCC(C)(C)CC
- InChI
- InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3
- Oral Bioavailability
- 40.793
- Drug Likeness
- 0.528
- 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.