4-(Tetrahydro-2H-pyran-2-yloxy)-1-butanol
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Basic information
- CAS
51326-51-3- Standard SMILES
OCCCCOC1CCCCO1- InChIKey
MAASHSYTIKTSSQ-UHFFFAOYSA-N- Molecular formula
- C9H18O3
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.12559444
Names & identifiers
- Preferred name
- 4-(Tetrahydro-2H-pyran-2-yloxy)-1-butanol
- IUPAC
- 4-(oxan-2-yloxy)butan-1-ol
- English name
- 4-Tetrahydropyranyloxy-butan-1-ol
- Molecular formula
- C9H18O3
- Molecular weight
- 174.24
Names & synonyms
51326-51-34-(Tetrahydro-2H-pyran-2-yloxy)-1-butanolDTXSID00339842RefChem:289472DTXCID402909234-Tetrahydropyranyloxy-butan-1-ol4-(oxan-2-yloxy)butan-1-ol4-((Tetrahydro-2H-pyran-2-yl)oxy)butan-1-ol1-Butanol, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-4-Hydroxybutyl tetrahydropyranyl Ether4-(Tetrahydropyran-2-yloxy)butanol4-(2-tetrahydropyranyloxy)-1-butanol
Show more names
2-(4-Hydroxybutoxy)tetrahydro-2H-pyran
4-(2-Tetrahydropyranyloxy)-1-hydroxybutaneSCHEMBL820099SCHEMBL92014364-[(Oxan-2-yl)oxy]butan-1-ol4-tetrahydropyran-2-yloxybutan-1-olMFCD098413184-(2-tetrahydropyranyloxy)butan-1-olAKOS006329413
Database identifiers
- CAS
51326-51-3- PubChem CID
- 559113
- DTXSID
DTXSID00339842- Nikkaji
- J451.359B
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Boiling point
- 99 °C · 99 °C(Press: 2.5 Torr)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 15.05 · 15.05±0.10(Predicted)
- form
- Oil
- color
- Colourless
Chemistry & industry
Applications
Uses4-Tetrahydropyranyloxy-butan-1-ol is a useful building block.
Upstream & downstream products
Downstream products
Related reactions
4 records
Compound notes
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