01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 12
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Bis(2-ethyl-hexyl)-phthalate
- Molecular Formula
- C24H38O4
- Molecular Weight
- No data
- Canonical SMILES
- CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
- Isomeric SMILES
- CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
- InChI
- InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
- Oral Bioavailability
- No data
- Drug Likeness
- 0.343
- 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