chempirical

1,1-Cyclopropanedimethanol

C5H10O2CAS 39590-81-3102.13 g/mol

Open in Covalent MOL file
OHHO
Alcohol

Properties

Molecular formula
C5H10O2
Molar mass
102.13 g/mol
Exact mass
102.0681 Da
Density
1.071 g/mL (at 20 °C)
Boiling point
123–127 °C (at 12 Torr)
logP
-0.25Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
39590-81-3
SMILES
OCC1(CO)CC1
InChIKey
YAINYZJQSQEGND-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O2/c6-3-5(4-7)1-2-5/h6-7H,1-4H2

Weigh it out

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

Names and synonyms

6 names
  • 1,1-Bis(hydroxymethyl)cyclopropane
  • 1,1-Di(hydroxymethyl)cyclopropane
  • 2,2-(1,2-Ethylene)-1,3-propanediol
  • (1-Hydroxymethylcyclopropyl)methanol
  • Cyclopropane-1,1-bis(methanol)
  • Cyclopropane-1,1-diyldimethanol

Work with 1,1-Cyclopropanedimethanol

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

Pentaerythritol115-77-567 % similar 1,4-Dioxaspiro[4.5]decane-8,8-diyldimethanol1256546-72-158 % similar 1-(Hydroxymethyl)cyclopropaneacetonitrile152922-71-950 % similar 2,2-Diethyl-1,3-propanediol115-76-447 % similar Dipentaerythritol126-58-947 % similar Pentaerythritol tribromide1522-92-547 % similar 2,2-Bis(bromomethyl)-1,3-propanediol3296-90-047 % similar Trimethylolpropane77-99-647 % similar

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

Same formula

Ethyl propionate105-37-3 5-Hydroxy-2-pentanone1071-73-4 Isopropyl acetate108-21-4 Valeric acid109-52-4 Propyl acetate109-60-4 Ethylene glycol monoallyl ether111-45-5 4-Methyl-1,3-dioxane1120-97-4 3-Hydroxy-3-methyl-2-butanone115-22-0

Elsewhere

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