Basic information
- CAS
36839-67-5- Standard SMILES
CCC(CC)OC- InChIKey
CQRFEDVNTJTKFU-UHFFFAOYSA-N- Molecular formula
- C6H14O
- Average molar mass
- 102.17 g/mol
- Monoisotopic mass
- 102.10446507
Names & identifiers
- Preferred name
- 3-Methoxypentane
- IUPAC
- 3-methoxypentane
- English name
- 3-methoxypentane
- Molecular formula
- C6H14O
- Molecular weight
- 102.17
Names & synonyms
3-METHOXYPENTANE36839-67-5DTXSID60190299RefChem:1068147DTXCID20112790Pentane, 3-methoxy-3-methoxy pentane1-Ethylpropyl methyl etherSCHEMBL131494SCHEMBL131495SCHEMBL386223SCHEMBL386267
Show more names
3-pentyl methyl ether1-Ethylpropyl(methyl) ether
SCHEMBL2415617SCHEMBL6429025SCHEMBL8562696SCHEMBL9335123SCHEMBL10807658CQRFEDVNTJTKFU-UHFFFAOYSA-N
Database identifiers
- CAS
36839-67-5- PubChem CID
- 37545
- DTXSID
DTXSID60190299- Nikkaji
- J126.171A
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 31.2
Physicochemical properties
- Melting point
- -105.78 °C · -105.78°C (estimate)
- Boiling point
- 91.54 °C · 91.54°C (estimate)
- Density
- 0.749 · 0.7490
- refractive index
- 1.379 · 1.3790
- Henry's Law Constant
- 4.4 · 4.4×10-3 mol/(m3Pa) at 25℃, Yaws (2003)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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