chempirical

Tetrahydro-2H-pyran-4-carboxaldehyde

C6H10O2CAS 50675-18-8114.14 g/mol

Open in Covalent MOL file
OO
AldehydeEther

Properties

Molecular formula
C6H10O2
Molar mass
114.14 g/mol
Exact mass
114.0681 Da
Boiling point
74–77 °C (at 11 Torr)
logP
0.61Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
50675-18-8
SMILES
O=CC1CCOCC1
InChIKey
CXLGNJCMPWUZKM-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O2/c7-5-6-1-3-8-4-2-6/h5-6H,1-4H2

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Names and synonyms

7 names
  • 2H-Pyran-4-carboxaldehyde, tetrahydro-
  • Pyran-4-carboxaldehyde, tetrahydro-
  • Tetrahydropyran-4-carboxaldehyde
  • 4-Formyltetrahydropyran
  • 4-Tetrahydropyrancarbaldehyde
  • Tetrahydropyranyl-4-carboxaldehyde
  • Oxane-4-carboxaldehyde

Work with Tetrahydro-2H-pyran-4-carboxaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tetrahydro-3-furancarboxaldehyde79710-86-471 % similar Cyclobutanecarboxaldehyde2987-17-955 % similar Cyclohexanecarboxaldehyde2043-61-052 % similar Cyclooctanecarboxaldehyde6688-11-552 % similar 2-Ethylbutanal97-96-139 % similar Tetrahydro-2-furancarboxaldehyde7681-84-738 % similar 1-(Phenylmethyl)-4-piperidinecarboxaldehyde22065-85-638 % similar N-Formylmorpholine4394-85-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 β-Methyl-δ-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

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