Basic information
- Standard SMILES
CC[C@@](C)(OC(=O)COC(C)C1CC1)C(=O)c1ccc(S(C)(=O)=O)cc1- InChIKey
HXANUPKJXWRYDH-GAGCMDECSA-N- Molecular formula
- C19H26O6S
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.14500972
Names & identifiers
- Preferred name
- (1-cyclopropylethoxy)acetic acid 2(R)-methyl-1-(4-(methylsulfonyl)phenyl)butan-1-one-2yl ester
- IUPAC
- [(2R)-2-methyl-1-(4-methylsulfonylphenyl)-1-oxobutan-2-yl] 2-(1-cyclopropylethoxy)acetate
Names & synonyms
SCHEMBL7488507HXANUPKJXWRYDH-GAGCMDECSA-N(1-cyclopropylethoxy)acetic acid 2(R)-methyl-1-(4-(methylsulfonyl)phenyl)butan-1 -one-2yl ester(1-cyclopropylethoxy)acetic acid 2(R)-methyl-1-(4-(methylsulfonyl)phenyl)butan-1-one-2yl ester
Database identifiers
- PubChem CID
- 70107480
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 610
Related reactions
5 records
Compound notes
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