1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one

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Basic information

CAS: 18679-55-5
Standard SMILES: CC12CCC(CC1=O)C(C)(C)O2
InChIKey: CCBAAZXPXFYPBE-UHFFFAOYSA-N
Molecular formula: C10H16O2
Average molar mass: 168.23 g/mol
Monoisotopic mass: 168.11502975

Names & identifiers

Preferred name: 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one
IUPAC: 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-one

Names & synonyms

1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-one66965-44-41,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-oneRefChem:10524802-Oxabicyclo(2.2.2)octan-6-one, 1,3,3-trimethyl-, (1R,4S)-70222-88-72-Oxabicyclo[2.2.2]octan-6-one, 1,3,3-trimethyl-2-Oxo-1,8-cineoleEINECS 274-451-9C008481,8-epoxy-p-menthan-2-oneSCHEMBL10777571

Show more names

DTXSID0087412218679-55-5NS000612801,3,3-trimethyl-2-oxabicyclo [2,2,2]octan-6-one1,3,3-trimethyl-2-oxabicyclo [2.2.2]octan-6-one1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-one #

Database identifiers

CAS: 18679-55-5、66965-44-4、70222-88-7
PubChem CID: 112203
DTXSID: DTXSID00874122
EC Number: 266-524-9、274-451-9
Nikkaji: J1.310.225B

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 232

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Oxabicyclo[2.2.2]octan-6-one, 1,3,3-trimethyl-, (1R,4S)-: INACTIVE

Related reactions

1 records

New reaction record

HRID 426576As productuspto-grants-1979_10

Compound notes

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