3-Methoxy-3-methylbutan-2-ol

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Basic information

CAS: 39250-87-8
Standard SMILES: COC(C)(C)C(C)O
InChIKey: SPILUUVIGQMCHL-UHFFFAOYSA-N
Molecular formula: C6H14O2
Average molar mass: 118.17 g/mol
Monoisotopic mass: 118.09937969

Names & identifiers

Preferred name: 3-Methoxy-3-methylbutan-2-ol
IUPAC: 3-methoxy-3-methylbutan-2-ol

Names & synonyms

3-methoxy-3-methylbutan-2-ol39250-87-8DTXSID60311740RefChem:280378DTXCID60262864NSC245106SCHEMBL1254280SCHEMBL82119723-Methoxy-3-methyl-butan-2-olAKOS017756112NSC-245106DS-014259

Database identifiers

CAS: 39250-87-8
PubChem CID: 316745
DTXSID: DTXSID60311740

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 68.9

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Compound notes

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