chempirical

3,4-Dihydro-2H-pyran-2-methanol

C6H10O2CAS 3749-36-8114.14 g/mol

Open in Covalent MOL file
HOO
AlcoholAlkeneEther

Properties

Molecular formula
C6H10O2
Molar mass
114.14 g/mol
Exact mass
114.0681 Da
Boiling point
90 °C (at 20 Torr)
logP
0.67Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
3749-36-8
SMILES
OCC1CCC=CO1
InChIKey
XMICBFRKICBBKD-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O2/c7-5-6-3-1-2-4-8-6/h2,4,6-7H,1,3,5H2

Weigh it out

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

Names and synonyms

6 names
  • 2H-Pyran-2-methanol, 3,4-dihydro-
  • 3,4-Dihydro-2-(hydroxymethyl)-2H-pyran
  • NSC 20753
  • 2-Hydroxymethyl-3,4-dihydro-2H-pyran
  • (3,4-Dihydro-2H-pyran-2-yl)methanol
  • (Rac)-3,4-dihydro-2H-pyran-2-methanol

Work with 3,4-Dihydro-2H-pyran-2-methanol

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

3,4-Dihydro-2H-pyran-2-carboxaldehyde100-73-240 % similar 2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-340 % similar cis-2,5-Bis(hydroxymethyl)tetrahydrofuran2144-40-340 % similar 3,4-Dihydro-2-methoxy-2H-pyran4454-05-140 % similar 3-Cyclohexene-1-methanol1679-51-238 % similar 2-Ethoxy-3,4-dihydro-2H-pyran103-75-338 % similar (+)-Glycidol57044-25-435 % similar (-)-Glycidol60456-23-735 % similar

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

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 β-Methyl-δ-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

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