01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 5
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 3,3,5-trimethylheptane
- Molecular Formula
- C10H22
- Molecular Weight
- No data
- Canonical SMILES
- CCC(C)CC(C)(C)CC
- Isomeric SMILES
- CCC(C)CC(C)(C)CC
- InChI
- InChI=1S/C10H22/c1-6-9(3)8-10(4,5)7-2/h9H,6-8H2,1-5H3
- Oral Bioavailability
- 47.491
- Drug Likeness
- 0.559
- 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