Tetrahydro-4H-pyran-4-ol

C₅H₁₀O₂CAS 2081-44-9102.13 g/mol

Open in Covalent MOL file

Alcohol Ether

Properties

Molecular formula: C₅H₁₀O₂
Molar mass: 102.13 g/mol
Exact mass: 102.0681 Da
Density: 1.0776 g/mL (at 12.5 °C)
Boiling point: 60.5 °C (at 0.7 Torr)
logP: 0.16Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H315 Causes skin irritation10.2% of notifiers
H318 Causes serious eye damage89.8% of notifiers
H319 Causes serious eye irritation10.2% of notifiers
H335 May cause respiratory irritation10.2% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2081-44-9

SMILES

OC1CCOCC1

InChIKey

LMYJGUNNJIDROI-UHFFFAOYSA-N

InChI

InChI=1S/C5H10O2/c6-5-1-3-7-4-2-5/h5-6H,1-4H2

Weigh it out

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

Names and synonyms

8 names

Tetrahydro-2H-pyran-4-ol
2H-Pyran-4-ol, tetrahydro-
Pyran-4-ol, tetrahydro-
4-Hydroxytetrahydropyran
Tetrahydro-4-pyranol
Tetrahydro-2H-pyranol-4-ol
4-Hydroxytetrahydro-2H-pyran
Oxan-4-ol

Work with Tetrahydro-4H-pyran-4-ol

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

3-Hydroxytetrahydrofuran453-20-367 % similar (+)-3-Hydroxytetrahydrofuran86087-23-267 % similar (-)-3-Hydroxytetrahydrofuran86087-24-367 % similar Cyclopropanol16545-68-953 % similar 1,4-Cyclohexanediol556-48-953 % similar trans-1,4-Cyclohexanediol6995-79-553 % similar Cyclobutanol2919-23-547 % similar Cyclopentanol96-41-347 % 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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