Basic information
- CAS
36749-13-0- Standard SMILES
CCOC(CC)CC- InChIKey
BMAINLNHNVARHJ-UHFFFAOYSA-N- Molecular formula
- C7H16O
- Average molar mass
- 116.2 g/mol
- Monoisotopic mass
- 116.12011513
Names & identifiers
- Preferred name
- 3-Ethoxypentane
- IUPAC
- 3-ethoxypentane
- English name
- 3-Ethoxypentane
- Molecular formula
- C7H16O
- Molecular weight
- 116.2
Names & synonyms
3-ETHOXYPENTANE36749-13-0DTXSID90190207RefChem:1067712DTXCID60112698Pentane, 3-ethoxy-3-Ethoxypentane #SCHEMBL127171SCHEMBL127172SCHEMBL127490SCHEMBL2414769SCHEMBL2798535
Show more names
SCHEMBL4742141SCHEMBL9336562SCHEMBL27900407BMAINLNHNVARHJ-UHFFFAOYSA-NDB-262293
Database identifiers
- CAS
36749-13-0- PubChem CID
- 37521
- DTXSID
DTXSID90190207- Nikkaji
- J104.454K
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
- 39.7
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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