5,6-Dihydro-2H-pyran-2-one

C₅H₆O₂CAS 3393-45-198.10 g/mol

Open in Covalent MOL file

Alkene Ester Lactone

Properties

Molecular formula: C₅H₆O₂
Molar mass: 98.10 g/mol
Exact mass: 98.0368 Da
logP: 0.49Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers

Aggregated from 73 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

3393-45-1

SMILES

C1COC(=O)C=C1

InChIKey

QBDAFARLDLCWAT-UHFFFAOYSA-N

InChI

InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h1,3H,2,4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Reactions

5,6-Dihydro-2H-pyran-2-one and 2H-pyran-2-oneproduct

Work with 5,6-Dihydro-2H-pyran-2-one

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

2-Furanone497-23-457 % similar Ethyl trans-2-hexenoate27829-72-752 % similar 1,4-Dipropyl (2Z)-2-butenedioate2432-63-550 % similar Ethyl (E)-2-octenoate7367-82-047 % similar Dibutyl fumarate105-75-946 % similar Dibutyl maleate105-76-046 % similar Ethyl trans-2-decenoate7367-88-645 % similar Methyl 2-hexenoate2396-77-243 % similar

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

Same formula

Methyl 2-butynoate23326-27-4 2-Methoxyfuran25414-22-6 1,3-Cyclopentanedione3859-41-4 3-Furanmethanol4412-91-3 Tulipalin A547-65-9 α-Angelica lactone591-12-8 4-Pentynoic acid6089-09-4 4-Hydroxycyclopent-2-en-1-one61305-27-9

Elsewhere

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