chempirical

2-Hydroxymethyl-15-crown-5

C11H22O6CAS 75507-25-4250.29 g/mol

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Properties

Molecular formula
C11H22O6
Molar mass
250.29 g/mol
Exact mass
250.1416 Da
Boiling point
113 °C (at 0.01 Torr)
logP
-0.56Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
1

Identifiers

CAS number
75507-25-4
SMILES
OCC1COCCOCCOCCOCCO1
InChIKey
YHIQMMGCRYKJLB-UHFFFAOYSA-N
InChI
InChI=1S/C11H22O6/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11-12H,1-10H2

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Names and synonyms

3 names
  • 1,4,7,10,13-Pentaoxacyclopentadecane-2-methanol
  • 1,4,7,10,13-Pentaoxacyclopentadecan-2-ylmethanol
  • 1,4,7,10,13-Pentaoxacyclopentadec-2-ylmethanol

Work with 2-Hydroxymethyl-15-crown-5

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

Hydroxymethyl-18-crown-670069-04-4100 % similar 1,4,7,10-Tetraoxacyclododecane-2-methanol75507-26-5100 % similar (2S)-1,4-Dioxane-2-methanol406913-93-795 % similar 1,3-Dioxolane-4-methanol5464-28-858 % similar Glycidol556-52-555 % similar (+)-Glycidol57044-25-455 % similar (-)-Glycidol60456-23-755 % similar Ethoxylated glycerol31694-55-050 % similar

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

Elsewhere

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