Basic information
- Standard SMILES
COC(=O)CC(C(OC)OC)C(C)(C)S(=O)(=O)c1ccc(C)cc1- InChIKey
JQUSYTRETDRFON-UHFFFAOYSA-N- Molecular formula
- C17H26O6S
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.14500972
Names & identifiers
- Preferred name
- Methyl 4-p-tolylsulfonyl-4-methyl-3-dimethoxymethylpentanoate
- IUPAC
- methyl 3-(dimethoxymethyl)-4-methyl-4-(4-methylphenyl)sulfonylpentanoate
Names & synonyms
SCHEMBL10731085JQUSYTRETDRFON-UHFFFAOYSA-NMethyl 4-p-tolylsulfonyl-4-methyl-3-dimethoxymethyl-pentanoateMethyl 4-p-tolylsulfonyl-4-methyl-3-dimethoxymethylpentanoatemethyl 4-p-toluenesulfonyl-4-methyl-3-dimethoxymethyl-pentanoate
Database identifiers
- PubChem CID
- 12850320
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 496
Related reactions
7 records
Compound notes
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