chempirical

1,4,7,10-Tetraoxacyclododecane-2-methanol

C9H18O5CAS 75507-26-5206.24 g/mol

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HOOOOO
AlcoholEther

Properties

Molecular formula
C9H18O5
Molar mass
206.24 g/mol
Exact mass
206.1154 Da
Boiling point
115 °C (at 0.04 Torr)
logP
-0.57Crippen estimate
Polar surface area
57.1 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1

Identifiers

CAS number
75507-26-5
SMILES
OCC1COCCOCCOCCO1
InChIKey
NJIPEIQHUNDGPY-UHFFFAOYSA-N
InChI
InChI=1S/C9H18O5/c10-7-9-8-13-4-3-11-1-2-12-5-6-14-9/h9-10H,1-8H2

Weigh it out

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

Names and synonyms

7 names
  • Hydroxymethyl-12-crown-4
  • (1,4,7,10-Tetraoxacyclododecan-2-yl)methyl alcohol
  • 2-(Hydroxymethyl)-12-crown-4
  • (1,4,7,10-Tetraoxacyclododecan-2-yl)methanol
  • 1,4,7,10-Tetraoxacyclododecan-2-methanol
  • 1,4,7,10-Tetraoxacyclododec-2-ylmethanol
  • 2-Hydroxymethyl-1,4,7,10-tetraoxacyclododecane

Work with 1,4,7,10-Tetraoxacyclododecane-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

Hydroxymethyl-18-crown-670069-04-4100 % similar 2-Hydroxymethyl-15-crown-575507-25-4100 % 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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