CAS 54911-85-2 Butanal, 4-[(tetrahydro-2H-pyran-2-yl)oxy]- (HCID 551206)

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Basic information

CAS: 54911-85-2
Standard SMILES: O=CCCCOC1CCCCO1
InChIKey: UWMPHMYUITTYTD-UHFFFAOYSA-N
Molecular formula: C9H16O3
Average molar mass: 172.22 g/mol
Monoisotopic mass: 172.10994437

Names & identifiers

Preferred name: Butanal, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-
IUPAC: 4-(oxan-2-yloxy)butanal
English name: Butanal, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-
Molecular formula: C9H16O3
Molecular weight: 172.22

Names & synonyms

54911-85-2Butanal, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-DTXSID20338796Butanal, 4-((tetrahydro-2H-pyran-2-yl)oxy)-RefChem:330423DTXCID60289879UWMPHMYUITTYTD-UHFFFAOYSA-N4-(oxan-2-yloxy)butanal4-Tetrahydropyranyloxy-butanal4-((Tetrahydro-2H-pyran-2-yl)oxy)butanal4-[(Tetrahydro-2H-pyran-2-yl)oxy]butanal4-[(Tetrahydropyran-2-yl)oxy]butanal

Show more names

4-(Tetrahydro-2H-pyran-2-yloxy)butanal4-(2-Tetrahydropyranyloxy)butyraldehyde4-[(Oxan-2-yl)oxy]butanalSCHEMBL18467784-tetrahydropyran-2-yloxybutanal4-tetrahydropyranyloxy-1-butanal4-(tetrahydropyran-2-yloxy)butanalMFCD09841317

Database identifiers

CAS: 54911-85-2
PubChem CID: 551206
DTXSID: DTXSID20338796
Nikkaji: J1.125.419E

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 125

Physicochemical properties

Boiling point: 58 · 58-60 °C(Press: 0.5 Torr)
Density: 1.01 · 1.01±0.1 g/cm3(Predicted)
storage temp.: Refrigerator, Under Inert Atmosphere
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form: Oil
color: Colourless to Light Brown