01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 3-methyl-5-ethylheptane
- Molecular Formula
- C10H22
- Molecular Weight
- No data
- Canonical SMILES
- CCC(C)CC(CC)CC
- Isomeric SMILES
- CC[C@@H](C)CC(CC)CC
- InChI
- InChI=1S/C10H22/c1-5-9(4)8-10(6-2)7-3/h9-10H,5-8H2,1-4H3/t9-/m1/s1
- Oral Bioavailability
- 32.388
- Drug Likeness
- 0.547
- 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