01
Ingredients
(2e)-2-[(1r,2r,4as,8as)-2,5,5,8a-tetramethylspiro[decalin-1,5'-tetrahydrofuran]-2'-ylidene]acetaldehyde
C19H30O2
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (2e)-2-[(1r,2r,4as,8as)-2,5,5,8a-tetramethylspiro[decalin-1,5'-tetrahydrofuran]-2'-ylidene]acetaldehyde
- Molecular Formula
- C19H30O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1CCC2C(CCCC2(C13CCC(=CC=O)O3)C)(C)C
- Isomeric SMILES
- C[C@@H]1CC[C@@H]2[C@@]([C@@]13CC/C(=C\C=O)/O3)(CCCC2(C)C)C
- InChI
- InChI=1S/C19H30O2/c1-14-6-7-16-17(2,3)10-5-11-18(16,4)19(14)12-8-15(21-19)9-13-20/h9,13-14,16H,5-8,10-12H2,1-4H3/b15-9+/t14-,16+,18+,19-/m1/s1
- Oral Bioavailability
- 54.236
- Drug Likeness
- 0.508
- 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
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Direct relations and traceable candidates grouped by relation type.
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