chempirical

2,2-Dimethoxypropane

C5H12O2CAS 77-76-9104.15 g/mol

Open in Covalent MOL file
OO
AcetalEther

Properties

Molecular formula
C5H12O2
Molar mass
104.15 g/mol
Exact mass
104.0837 Da
Density
0.8448 g/mL (at 20 °C)
Melting point
−47 °C
Boiling point
83 °C
logP
1.02Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
77-76-9
SMILES
COC(C)(C)OC
InChIKey
HEWZVZIVELJPQZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3

Weigh it out

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

Names and synonyms

6 names
  • Propane, 2,2-dimethoxy-
  • Acetone, dimethyl acetal
  • Acetone dimethyl ketal
  • NSC 62085
  • 2,2-Bis(methyloxy)propane
  • 2,2-DMP

Work with 2,2-Dimethoxypropane

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

Trimethyl orthoacetate1445-45-047 % similar Methyl tert-butyl ether1634-04-447 % similar Tetramethoxymethane1850-14-243 % similar 2,2-Dimethyl-1,3-dioxolane2916-31-635 % similar Dimethylacetamide dimethyl acetal18871-66-435 % similar tert-Amyl methyl ether994-05-835 % similar 1-Bromo-2,2-dimethoxypropane126-38-533 % similar 2,2-Diethoxypropane126-84-132 % similar

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

Same formula

2-Isopropoxyethanol109-59-1 1,5-Pentanediol111-29-5 4-Methoxy-1-butanol111-32-0 3-Ethoxy-1-propanol111-35-3 Neopentyl glycol126-30-7 1-Ethoxy-2-propanol1569-02-4 (2R)-2-Methyl-1,4-butanediol22644-28-6 3-Methoxybutanol2517-43-3

Elsewhere

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