1,2,4,5,6,8-Hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane

HCID 277263

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Basic information

CAS: 16076-16-7
Standard SMILES: CC12OC1(C)C1(C)C3(C)OC3(C)C21C
InChIKey: IAICHWCBJHUEAN-UHFFFAOYSA-N
Molecular formula: C12H18O2
Average molar mass: 194.27 g/mol
Monoisotopic mass: 194.13067981

Names & identifiers

Preferred name: 1,2,4,5,6,8-Hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane
IUPAC: 1,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane

Names & synonyms

16076-16-71,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octaneNSC125873DTXSID40298762NSC-1258731,2,4,5,6,8-Hexamethyl-3,7-dioxatetracyclo[3.3.0.0~2,4~.0~6,8~]octane

Database identifiers

CAS: 16076-16-7
PubChem CID: 277263
DTXSID: DTXSID40298762
Nikkaji: J399.320E

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 25.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 337

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