Basic information
- CAS
7289-40-9- Standard SMILES
CCCCCCCOCCCCCC- InChIKey
PNHXCAOHDPRJML-UHFFFAOYSA-N- Molecular formula
- C13H28O
- Average molar mass
- 200.36 g/mol
- Monoisotopic mass
- 200.21401551
Names & identifiers
- Preferred name
- 1-(Hexyloxy)heptane
- IUPAC
- 1-hexoxyheptane
- English name
- Heptylhexyl ether
- Molecular formula
- C13H28O
- Molecular weight
- 200.36
Names & synonyms
1-(Hexyloxy)heptaneDTXSID103379557289-40-9RefChem:1054699DTXCID70289042Ether, heptyl hexylheptylhexylether1-(Hexyloxy)heptane #SCHEMBL199087SCHEMBL199088SCHEMBL980881SCHEMBL980882
Show more names
Heptylhexyl etherHeptane, 1-(hexyloxy)-
SCHEMBL983262SCHEMBL3022890SCHEMBL4365631SCHEMBL11877091PNHXCAOHDPRJML-UHFFFAOYSA-N
Database identifiers
- CAS
7289-40-9- PubChem CID
- 545658
- DTXSID
DTXSID10337955- Nikkaji
- J121.146C
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 91.2
Physicochemical properties
- Boiling point
- 240.9 · 240.9±8.0 °C(Predicted)
- Density
- 0.803 · 0.803±0.06 g/cm3(Predicted)
- Odor
- wild hyacinth foliage green
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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