Basic information
- CAS
6795-88-6- Standard SMILES
CCCC(C)OC- InChIKey
XSAJCGUYMQTAHL-UHFFFAOYSA-N- Molecular formula
- C6H14O
- Average molar mass
- 102.17 g/mol
- Monoisotopic mass
- 102.10446507
Names & identifiers
- Preferred name
- 2-Methoxypentane
- IUPAC
- 2-methoxypentane
- English name
- methyl 1-methylbutyl ether
- Molecular formula
- C6H14O
- Molecular weight
- 102.17
Names & synonyms
2-Methoxypentane6795-88-6DTXSID20334910RefChem:1063604DTXCID80965229Pentane, 2-methoxy-Ether, methyl 1-methylbutylMethyl 1-methylbutyl ether2-Methoxypentane #SCHEMBL386210SCHEMBL387420SCHEMBL591736
Show more names
SCHEMBL591737SCHEMBL2404820SCHEMBL2779132SCHEMBL4269615SCHEMBL6688967SCHEMBL8996097XSAJCGUYMQTAHL-UHFFFAOYSA-NAKOS006285909
Database identifiers
- CAS
6795-88-6- PubChem CID
- 522287
- DTXSID
DTXSID20334910- Nikkaji
- J126.167C
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
- 91.85 °C · 91.85°C
- Density
- 0.75 · 0.7500
- refractive index
- 1.381 · 1.3810
- Henry's Law Constant
- 4.2 · 4.2×10-3 mol/(m3Pa) at 25℃, Yaws (2003)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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