2,2-Dimethyl-4,6-dioxo-5-[3-[(triphenylmethyl)thio]propyl]-1,3-dioxane-5-propanoic acid methylester
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Basic information
- Standard SMILES
COC(=O)CCC1(CCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)OC(C)(C)OC1=O- InChIKey
LZICFINGWPMWMI-UHFFFAOYSA-N- Molecular formula
- C32H34O6S
- Average molar mass
- 546.7 g/mol
Names & identifiers
- Preferred name
- 2,2-Dimethyl-4,6-dioxo-5-[3-[(triphenylmethyl)thio]propyl]-1,3-dioxane-5-propanoic acid methylester
- IUPAC
- methyl 3-[2,2-dimethyl-4,6-dioxo-5-(3-tritylsulfanylpropyl)-1,3-dioxan-5-yl]propanoate
Names & synonyms
LZICFINGWPMWMI-UHFFFAOYSA-N2,2-Dimethyl-4,6-dioxo-5-[3-[(triphenylmethyl) thio]-propyl]-1,3-dioxane-5-propanoic acid methylester2,2-Dimethyl-4,6-dioxo-5-[3-[(triphenylmethyl)thio]-propyl]-1,3-dioxane-5-propanoic acid methylester2,2-Dimethyl-4,6-dioxo-5-[3-[(triphenylmethyl)thio]propyl]-1,3-dioxane-5-propanoic acid methylester
Database identifiers
- PubChem CID
- 11082151
Properties
Computed structural propertiesFilling in
- XLogP
- 6.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 770
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Related reactions
8 records
Compound notes
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