Hydroxymethyl-18-crown-6

C13H26O7CAS 70069-04-4294.34 g/mol

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Properties

Molecular formula
C13H26O7
Molar mass
294.34 g/mol
Exact mass
294.1679 Da
Boiling point
208 °C
logP
-0.54Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
70069-04-4
SMILES
OCC1COCCOCCOCCOCCOCCO1
InChIKey
HFRGASADQCZXHH-UHFFFAOYSA-N
InChI
InChI=1S/C13H26O7/c14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13/h13-14H,1-12H2

Weigh it out

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

Names and synonyms

4 names
  • 1,4,7,10,13,16-Hexaoxacyclooctadecane-2-methanol
  • 2-Hydroxymethyl-18-crown-6
  • 18-Crown-6-methanol
  • 1,4,7,10,13,16-Hexaoxacyclooctadec-2-ylmethanol

Work with Hydroxymethyl-18-crown-6

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

2-Hydroxymethyl-15-crown-575507-25-4100 % 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

PubChem CAS Common Chemistry NIST WebBook