Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
Basic information
- CAS
14496-64-1- Standard SMILES
CCC(COC(=O)C(C)(C)Oc1ccc(Cl)cc1)(COC(=O)C(C)(C)Oc1ccc(Cl)cc1)COC(=O)C(C)(C)Oc1ccc(Cl)cc1- InChIKey
XJBUPKZHSDIISJ-UHFFFAOYSA-N- Molecular formula
- C36H41Cl3O9
- Average molar mass
- 724.1 g/mol
- Monoisotopic mass
- 722.181616
Names & identifiers
- Preferred name
- Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
- IUPAC
- 2,2-bis[[2-(4-chlorophenoxy)-2-methylpropanoyl]oxymethyl]butyl 2-(4-chlorophenoxy)-2-methylpropanoate
Names & synonyms
BRN 1899462Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol14496-64-1DTXSID80162852RefChem:375177DTXCID80853432,2-Bis({[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy}methyl)butyl 2-(4-chlorophenoxy)-2-methylpropanoate
Database identifiers
- CAS
14496-64-1- PubChem CID
- 203459
- DTXSID
DTXSID80162852
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 19
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 915
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Compound notes
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