2-Methyl-2-(1-methylpropyl)oxirane

HCID 39176

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Basic information

CAS: 42328-43-8
Standard SMILES: CCC(C)C1(C)CO1
InChIKey: XRYOOZWHQGGKMY-UHFFFAOYSA-N
Molecular formula: C7H14O
Average molar mass: 114.19 g/mol
Monoisotopic mass: 114.10446507

Names & identifiers

Preferred name: 2-Methyl-2-(1-methylpropyl)oxirane
IUPAC: 2-butan-2-yl-2-methyloxirane
English name: 2-Methyl-2-(1-methylpropyl)oxirane
Molecular formula: C7H14O
Molecular weight: 114.19

Names & synonyms

2-(Butan-2-yl)-2-methyloxirane42328-43-82-METHYL-2-(1-METHYLPROPYL)OXIRANEOxirane, 2-methyl-2-(1-methylpropyl)-2-sec-Butyl-2-MethyloxiraneSCHEMBL11686223DTXSID50962427XRYOOZWHQGGKMY-UHFFFAOYSA-NEN300-1837755

Database identifiers

CAS: 42328-43-8、53897-31-7
PubChem CID: 39176
DTXSID: DTXSID50962427
Nikkaji: J99.920B

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 90.4

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