3,4-Dihydro-2H-pyran-5-carbaldehyde

C6H8O2CAS 25090-33-9112.13 g/mol

Open in Covalent MOL file
OO
AldehydeAlkeneEther

Properties

Molecular formula
C6H8O2
Molar mass
112.13 g/mol
Exact mass
112.0524 Da
logP
0.88Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number
25090-33-9
SMILES
C1CC(=COC1)C=O
InChIKey
WWZVSCJTMPYTLY-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O2/c7-4-6-2-1-3-8-5-6/h4-5H,1-3H2

Weigh it out

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Work with 3,4-Dihydro-2H-pyran-5-carbaldehyde

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

1-Cyclohexene-1-carboxaldehyde1192-88-743 % similar 3-Hydroxy-1-cyclohexene-1-carboxaldehyde67252-14-636 % similar Butyl formate592-84-733 % similar Pentyl formate638-49-332 % similar Glycol diformate629-15-232 % similar Hexyl formate629-33-431 % similar Amylcinnamaldehyde122-40-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dihydro-2H-pyran-2-carboxaldehyde100-73-2 Sorbic acid110-44-1 2,5-Dimethyl-3(2H)furanone14400-67-0 Vinyl crotonate14861-06-4 1-Acetoxy-1,3-butadiene1515-76-0 1-Cyclopentene-1-carboxylic acid1560-11-8 3-Methylenecyclobutanecarboxylic acid15760-36-8 Glycidyl propargyl ether18180-30-8

Elsewhere

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