01
Ingredients
(5r)-2-methyl-5-(2-oxoethyl)cyclopentene-1-carbaldehyde
C9H12O2
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (5r)-2-methyl-5-(2-oxoethyl)cyclopentene-1-carbaldehyde
- Molecular Formula
- C9H12O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1=C(C(CC1)CC=O)C=O
- Isomeric SMILES
- CC1=C([C@H](CC1)CC=O)C=O
- InChI
- InChI=1S/C9H12O2/c1-7-2-3-8(4-5-10)9(7)6-11/h5-6,8H,2-4H2,1H3/t8-/m1/s1
- Oral Bioavailability
- 51.558
- Drug Likeness
- 0.574
- 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