3-(Hydroxymethyl)cyclobutan-1-one

C₅H₈O₂CAS 183616-18-4100.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₈O₂
Molar mass: 100.12 g/mol
Exact mass: 100.0524 Da
logP: -0.04Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

183616-18-4

SMILES

C1C(CC1=O)CO

InChIKey

NPBDXRSQLIOUGJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2

Weigh it out

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

Work with 3-(Hydroxymethyl)cyclobutan-1-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

4-(Hydroxymethyl)cyclohexan-1-one38580-68-657 % similar Bicyclo(3.2.1)octan-3-one14252-05-250 % similar 2-(Hydroxymethyl)-1,3-propanediol4704-94-344 % similar Cyclohexanedimethanol105-08-840 % similar 4-Oxo-1,2-cyclopentanedicarboxylic acid1703-61-340 % similar 3-Oxocyclobutanecarboxylic acid23761-23-140 % similar Cyclopropanemethanol2516-33-840 % similar trans-1,4-Cyclohexanedimethanol3236-48-440 % similar

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

Same formula

Vinyl propionate105-38-4 Isopropenyl acetate108-22-5 Gamma-valerolactone108-29-2 Glutaraldehyde111-30-8 Acetylacetone123-54-6 trans-2-Pentenoic acid13991-37-2 Ethyl acrylate140-88-5 2H-Pyran-3(4H)-one, dihydro-23462-75-1

Elsewhere

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