Methyl (6,6-dimethyl-5-oxabicyclo[2.1.1]hexan-1-yl)acetate

HCID 24972001

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Basic information

CAS: 88579-83-3
Standard SMILES: COC(=O)CC12CCC(O1)C2(C)C
InChIKey: IKVRVMOAIPYAJU-UHFFFAOYSA-N
Molecular formula: C10H16O3
Average molar mass: 184.23 g/mol
Monoisotopic mass: 184.10994437

Names & identifiers

Preferred name: Methyl (6,6-dimethyl-5-oxabicyclo[2.1.1]hexan-1-yl)acetate
IUPAC: methyl 2-(6,6-dimethyl-5-oxabicyclo[2.1.1]hexan-1-yl)acetate

Names & synonyms

88579-83-3DTXSID30648136Methyl (6,6-dimethyl-5-oxabicyclo[2.1.1]hexan-1-yl)acetatemethyl (6,6-dimethyl-5-oxabicyclo[2.1.1]hex-1-yl)acetatemethyl 2-(6,6-dimethyl-5-oxabicyclo[2.1.1]hexan-1-yl)acetate

Database identifiers

CAS: 88579-83-3
PubChem CID: 24972001
DTXSID: DTXSID30648136

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 247

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