Basic information
- CAS
54699-43-3- Standard SMILES
O=C(O)CCCCCCCOC1CCCCO1- InChIKey
UPDTWNRPGTYVOI-UHFFFAOYSA-N- Molecular formula
- C13H24O4
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.16745924
Names & identifiers
- Preferred name
- 8-(Tetrahydro-2H-pyran-2-yloxy)octanoic acid
- IUPAC
- 8-(oxan-2-yloxy)octanoic acid
- English name
- 8-(Tetrahydro-2H-pyran-2-yloxy)octanoic acid
- Molecular formula
- C13H24O4
- Molecular weight
- 244.33
Names & synonyms
8-(Tetrahydro-2H-pyran-2-yloxy)octanoic acidDTXSID2033980454699-43-3RefChem:311697DTXCID20290885Octanoic acid, 8-[(tetrahydro-2H-pyran-2-yl)oxy]-SCHEMBL5118077UPDTWNRPGTYVOI-UHFFFAOYSA-N8-[(Oxan-2-yl)oxy]octanoic acidDB-2968458-(Tetrahydro-2H-pyran-2-yloxy)octanoic acid #8-[(Tetrahydro-2H-pyran-2-yl)oxy]octanoic acid
Database identifiers
- CAS
54699-43-3- PubChem CID
- 558908
- DTXSID
DTXSID20339804- Nikkaji
- J140.310I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 386.3 · 386.3±37.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 4.77 · 4.77±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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