6,8-Dioxabicyclo[3.2.1]octane, 1,5-dimethyl-

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Basic information

CAS: 60478-96-8
Standard SMILES: CC12CCCC(C)(OC1)O2
InChIKey: AZWKCIZRVUVZPX-UHFFFAOYSA-N
Molecular formula: C8H14O2
Average molar mass: 142.2 g/mol
Monoisotopic mass: 142.09937969

Names & identifiers

Preferred name: 6,8-Dioxabicyclo[3.2.1]octane, 1,5-dimethyl-
IUPAC: 1,5-dimethyl-6,8-dioxabicyclo[3.2.1]octane
English name: 1,5-Dimethyl-6,8-dioxabicyclo[3.2.1]octane
Molecular formula: C8H14O2
Molecular weight: 142.2

Names & synonyms

60478-96-86,8-Dioxabicyclo[3.2.1]octane, 1,5-dimethyl-6,8-DIOXABICYCLO(3.2.1)OCTANE, 1,5-DIMETHYL-(1S)-1,5-Dimethyl-6,8-dioxabicyclo[3.2.1]octaneSCHEMBL432148DTXSID30860417NS001203031,5-dimethyl-7,8-dioxabicyclo[3.2.1]octaneInChI=1/C8H14O2/c1-7-4-3-5-8(2,10-7)9-6-7/h3-6H2,1-2H1,5-Dimethyl-6,8-dioxabicyclo[3.2.1]octane

Database identifiers

CAS: 60478-96-8
PubChem CID: 34235
DTXSID: DTXSID30860417
Nikkaji: J2.363.358B

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 157

Physicochemical properties

Boiling point: 74 · 74-77 °C(Press: 52 Torr)
Density: 1.056 · 1.056±0.06 g/cm3(Predicted)
FDA UNII: 565 AP595Q · S565AP595Q

Related reactions

1 records

New reaction record

HRID 981885As productuspto-grants-1991_02

Compound notes

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