8-tert-Butyl-3-methylidene-1-oxaspiro[4.5]decan-2-one

HCID 327686

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Basic information

CAS: 75489-44-0
Standard SMILES: C=C1CC2(CCC(C(C)(C)C)CC2)OC1=O
InChIKey: ADKINWFQEOHABV-UHFFFAOYSA-N
Molecular formula: C14H22O2
Average molar mass: 222.32 g/mol
Monoisotopic mass: 222.16197994

Names & identifiers

Preferred name: 8-tert-Butyl-3-methylidene-1-oxaspiro[4.5]decan-2-one
IUPAC: 8-tert-butyl-3-methylidene-1-oxaspiro[4.5]decan-2-one

Names & synonyms

75489-44-0NSC3037528-tert-Butyl-3-methylidene-1-oxaspiro[4.5]decan-2-oneCHEMBL276223DTXSID60316472NSC-303752DS-0031391-OXASPIRO[4.5]DECAN-2-ONE,8-(1,1-DIMETHYLETHYL)-3-METHYLENE-

Database identifiers

CAS: 75489-44-0
PubChem CID: 327686
DTXSID: DTXSID60316472
ChEMBL: CHEMBL276223

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 314

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