2-(Hydroxymethyl)tetrahydropyran

C6H12O2CAS 100-72-1116.16 g/mol

Open in Covalent MOL file
HOO
AlcoholEther

Properties

Molecular formula
C6H12O2
Molar mass
116.16 g/mol
Exact mass
116.0837 Da
Density
1.026 g/mL (at 25 °C)
Boiling point
185 °C
logP
0.55Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
100-72-1
SMILES
OCC1CCCCO1
InChIKey
ROTONRWJLXYJBD-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2

Weigh it out

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

Names and synonyms

11 names
  • 2H-Pyran-2-methanol, tetrahydro-
  • Pyran-2-methanol, tetrahydro-
  • Tetrahydro-2H-pyran-2-methanol
  • Tetrahydropyran-2-methanol
  • Tetrahydropyran-2-carbinol
  • 2-Tetrahydropyranylcarbinol
  • 3,4,5,6-Tetrahydro-2H-pyran-2-methanol
  • NSC 5221
  • NSC 66493
  • Tetrahydro-2H-pyran-2-ylmethanol
  • Oxan-2-ylmethanol

Work with 2-(Hydroxymethyl)tetrahydropyran

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(R)-(-)-Tetrahydrofurfuryl alcohol22415-59-485 % similar Tetrahydrofurfuryl alcohol97-99-485 % similar 2-Hydroxymethyloxetane61266-70-467 % similar 2-(Cyclohexyloxy)ethanol1817-88-552 % similar 2-(Chloromethyl)tetrahydropyran18420-41-252 % similar 2-(Bromomethyl)tetrahydro-2H-pyran34723-82-552 % similar (R)-2-Hydroxymethylmorpholine156925-22-348 % similar (2S)-1,4-Dioxane-2-methanol406913-93-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methylpentanoic acid105-43-1 sec-Butyl acetate105-46-4 Ethyl butyrate105-54-4 Propyl propanoate106-36-5 3,3-Dimethylbutanoic acid1070-83-3 Isobutyl acetate110-19-0 Isoamyl formate110-45-2 2-Methyl-2-pentanol-4-one123-42-2

Elsewhere

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