3-Methyl-3-oxetanemethanol

C₅H₁₀O₂CAS 3143-02-0102.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₀O₂
Molar mass: 102.13 g/mol
Exact mass: 102.0681 Da
logP: 0.02Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

3143-02-0

SMILES

CC1(COC1)CO

InChIKey

NLQMSBJFLQPLIJ-UHFFFAOYSA-N

InChI

InChI=1S/C5H10O2/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3

Weigh it out

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

Work with 3-Methyl-3-oxetanemethanol

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

Trimethylolethane77-85-059 % similar 1-Methylcyclopropanemethanol2746-14-753 % similar Dipentaerythritol126-58-950 % similar (3-Methyloxetan-3-yl)methanamine153209-97-350 % similar 3,3-Bisz-(hydroxymethyl)-oxetane2754-18-950 % similar 3-(Bromomethyl)-3-methyloxetane78385-26-950 % similar Oxt-1013047-32-346 % similar 2-Methyl-2-propyl-1,3-propanediol78-26-243 % similar

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

Same formula

Ethyl propionate105-37-3 5-Hydroxy-2-pentanone1071-73-4 Isopropyl acetate108-21-4 Valeric acid109-52-4 Propyl acetate109-60-4 Ethylene glycol monoallyl ether111-45-5 4-Methyl-1,3-dioxane1120-97-4 3-Hydroxy-3-methyl-2-butanone115-22-0

Elsewhere

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