01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 15
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Butyl isobutyl phthalate
- Molecular Formula
- C16H22O4
- Molecular Weight
- No data
- Canonical SMILES
- CCCCOC(=O)C1=CC=CC=C1C(=O)OCC(C)C
- Isomeric SMILES
- CCCCOC(=O)C1=CC=CC=C1C(=O)OCC(C)C
- InChI
- InChI=1S/C16H22O4/c1-4-5-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3
- Oral Bioavailability
- 64.106
- Drug Likeness
- 0.566
- 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.