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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11031318Generated: November 3, 2026

1,3-Dioxepin, 4,5-dihydro-2,2-dimethyl-5-(4-methylphenyl)-

https://huagongshe.com/en/chemical/11031318

1,3-Dioxepin, 4,5-dihydro-2,2-dimethyl-5-(4-methylphenyl)- molecular structure

Identifiers & Physical Properties

CAS No.153867-10-8
Molecular formulaC14H18O2
Average molar mass218.29 g/mol
Monoisotopic mass218.13067981 g/mol
SMILESCc1ccc(C2C=COC(C)(C)OC2)cc1
InChIKeyRELMXWHIKLIRGF-UHFFFAOYSA-N
PubChem CID11031318
DTXSIDDTXSID10452617

Chemical & Physical Properties

XLogP3.2
Topological polar surface area18.5
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds1
Heavy atoms16
Formal charge0
Complexity249