Basic information
- CAS
62016-48-2- Standard SMILES
CCC(C)COC- InChIKey
XGLHRCWEOMNVKS-UHFFFAOYSA-N- Molecular formula
- C6H14O
- Average molar mass
- 102.17 g/mol
- Monoisotopic mass
- 102.10446507
Names & identifiers
- Preferred name
- 1-Methoxy-2-methylbutane
- IUPAC
- 1-methoxy-2-methylbutane
- English name
- methyl 2-methylbutyl ether
- Molecular formula
- C6H14O
- Molecular weight
- 102.17
Names & synonyms
1-Methoxy-2-methylbutane62016-48-2DTXSID10871445RefChem:1055694DTXCID40819113Butane, 1-methoxy-2-methyl-1-methoxy-2-methyl-butane1-Methoxy-2-methylbutane #SCHEMBL803932SCHEMBL987095SCHEMBL1298994SCHEMBL1365072
Show more names
methyl 2-methylbutyl ether
SCHEMBL1937461SCHEMBL3600073SCHEMBL4301360SCHEMBL7671825XGLHRCWEOMNVKS-UHFFFAOYSA-NDB-216144
Database identifiers
- CAS
62016-48-2- PubChem CID
- 522007
- DTXSID
DTXSID10871445- Nikkaji
- J126.166E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 35.2
Physicochemical properties
- Melting point
- -105.78 °C · -105.78°C (estimate)
- Boiling point
- 91.54 °C · 91.54°C (estimate)
- Density
- 0.746 · 0.7460
- refractive index
- 1.382 · 1.3820
- Henry's Law Constant
- 4.3 · 4.3×10-3 mol/(m3Pa) at 25℃, Yaws (2003)
Chemistry & industry
Suppliers1 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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