01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 6
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Linalyl isobutyrate
- Molecular Formula
- C14H24O2
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)C(=O)OC(C)(CCC=C(C)C)C=C
- Isomeric SMILES
- CC(C)C(=O)OC(C)(CCC=C(C)C)C=C
- InChI
- InChI=1S/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3
- Oral Bioavailability
- 43.038
- Drug Likeness
- 0.505
- 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.