Dihydro-3,3-dimethylspiro(bicyclo(2.2.1)heptane-2,2'(5'H)-furan)-5'-one

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Basic information

CAS: 6090-26-2
Standard SMILES: CC1(C)C2CCC(C2)C12CCC(=O)O2
InChIKey: QVTZYJHTBWCKAM-UHFFFAOYSA-N
Molecular formula: C12H18O2
Average molar mass: 194.27 g/mol
Monoisotopic mass: 194.13067981

Names & identifiers

Preferred name: Dihydro-3,3-dimethylspiro(bicyclo(2.2.1)heptane-2,2'(5'H)-furan)-5'-one
IUPAC: 2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,5'-oxolane]-2'-one

Names & synonyms

EINECS 228-030-16090-26-2Dihydro-3,3-dimethylspiro(bicyclo(2.2.1)heptane-2,2'(5'H)-furan)-5'-oneDihydro-3,3-dimethylspiro[bicyclo[2.2.1]heptane-2,2'(5'H)-furan]-5'-oneRefChem:133697228-030-1DTXSID40976371QVTZYJHTBWCKAM-UHFFFAOYSA-N3,3-Dimethylspiro[bicyclo[2.2.1]heptane-2,2'-oxolan]-5'-oneNS00045012

Database identifiers

CAS: 6090-26-2
PubChem CID: 110764
DTXSID: DTXSID40976371
EC Number: 228-030-1
Nikkaji: J227.289J

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 295

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Compound notes

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