8-Oxabicyclo(3.2.1)octane

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Basic information

CAS: 22341-17-9
Standard SMILES: C1CC2CCC(C1)O2
InChIKey: AWEGTPPFDJUPRI-UHFFFAOYSA-N
Molecular formula: C7H12O
Average molar mass: 112.17 g/mol
Monoisotopic mass: 112.088815

Overview

structure in first source

Names & identifiers

Preferred name: 8-Oxabicyclo(3.2.1)octane
IUPAC: 8-oxabicyclo[3.2.1]octane

Names & synonyms

8-oxabicyclo[3.2.1]octane280-11-5DTXSID602763808-oxabicyclo(3.2.1)octaneRefChem:914635DTXCID3022768722341-17-98-Oxatricyclo[3,2,1,0(1,5)]octane8-Oxatricyclo(3,2,1,0(1,5))octaneSCHEMBL1441816SCHEMBL2137252SCHEMBL4323290

Show more names

SCHEMBL6483532AKOS024436666

Database identifiers

CAS: 22341-17-9、280-11-5
PubChem CID: 140905
DTXSID: DTXSID60276380
Nikkaji: J2.858.099A

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 80.4

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Compound notes

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