Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, 2-butynylene ester

HCID 204579

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Basic information

CAS: 16657-70-8
Standard SMILES: CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC#CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIKey: YLIVPBUAFNOWCG-UHFFFAOYSA-N
Molecular formula: C24H24Cl2O6
Average molar mass: 479.3 g/mol
Monoisotopic mass: 478.0949939

Names & identifiers

Preferred name: Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, 2-butynylene ester
IUPAC: 4-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxybut-2-ynyl 2-(4-chlorophenoxy)-2-methylpropanoate

Names & synonyms

BRN 1897749Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, 2-butynylene ester16657-70-82-(p-Chlorophenoxy)-2-methylpropionic acid 2-butynylene esterDTXSID50168129RefChem:375174DTXCID5090620But-2-yne-1,4-diyl bis[2-(4-chlorophenoxy)-2-methylpropanoate]

Database identifiers

CAS: 16657-70-8
PubChem CID: 204579
DTXSID: DTXSID50168129

Properties

Computed structural properties

XLogP: 5.9
Topological polar surface area: 71.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 10
Heavy atoms: 32
Formal charge: 0
Complexity: 636

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