2-(Hydroxymethyl)tetrahydropyran
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
Identifiers
CAS number
100-72-1SMILES
OCC1CCCCO1InChIKey
ROTONRWJLXYJBD-UHFFFAOYSA-NInChI
InChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2Weigh 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
Tetrahydrofurfuryl alcohol97-99-485 % similar
(2S)-1,4-Dioxane-2-methanol406913-93-746 % similar
Tetrahydrofurfuryl polyethylene glycol31692-85-045 % similar
Hydroxymethyl-18-crown-670069-04-444 % similar
2-Hydroxymethyl-15-crown-575507-25-444 % similar
1,4,7,10-Tetraoxacyclododecane-2-methanol75507-26-544 % similar
2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-343 % similar
cis-2,5-Bis(hydroxymethyl)tetrahydrofuran2144-40-343 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds