Basic information
- CAS
61962-23-0- Standard SMILES
CCCOC(C)CC- InChIKey
NKCLBERXLKOMPK-UHFFFAOYSA-N- Molecular formula
- C7H16O
- Average molar mass
- 116.2 g/mol
- Monoisotopic mass
- 116.12011513
Names & identifiers
- Preferred name
- 2-Propoxybutane
- IUPAC
- 2-propoxybutane
- English name
- 2-Propoxybutane
- Molecular formula
- C7H16O
- Molecular weight
- 116.2
Names & synonyms
2-propoxybutane61962-23-0DTXSID80334815RefChem:266389DTXCID30285904Butane, 2-propoxy-Sec-butyl propyl etherpropyl s-butyl etherSCHEMBL19108SCHEMBL20489SCHEMBL20760SCHEMBL430875
Show more names
SCHEMBL439331SCHEMBL5228436SCHEMBL7856655SCHEMBL8744916SCHEMBL8744954SCHEMBL11668510DB-314322
Database identifiers
- CAS
61962-23-0- PubChem CID
- 522002
- DTXSID
DTXSID80334815- Nikkaji
- J125.103A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 43.7
Physicochemical properties
- Melting point
- -95.35 °C · -95.35°C (estimate)
- Boiling point
- 117.3 °C · 117.3°C (estimate)
- Density
- 0.7684 · 0.7684 (estimate)
- refractive index
- 1.3897 · 1.3897 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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