01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 16
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 1-alpha-terpinyl acetate
- Molecular Formula
- C12H20O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1=CCC(CC1)C(C)(C)OC(=O)C
- Isomeric SMILES
- CC1=CC[C@H](CC1)C(C)(C)OC(=O)C
- InChI
- InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3/t11-/m1/s1
- Oral Bioavailability
- 28.973
- Drug Likeness
- 0.501
- 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.