chempirical

Trimethyl orthoacetate

C5H12O3CAS 1445-45-0120.15 g/mol

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OOO
AcetalEther

Properties

Molecular formula
C5H12O3
Molar mass
120.15 g/mol
Exact mass
120.0786 Da
Boiling point
108 °C
logP
0.60Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
1445-45-0
SMILES
COC(C)(OC)OC
InChIKey
HDPNBNXLBDFELL-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H3

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

Names and synonyms

4 names
  • Ethane, 1,1,1-trimethoxy-
  • Orthoacetic acid, trimethyl ester
  • 1,1,1-Trimethoxyethane
  • Methyl orthoacetate

Work with Trimethyl orthoacetate

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

Methyl tert-butyl ether1634-04-447 % similar 2,2-Dimethoxypropane77-76-947 % similar Tetramethoxymethane1850-14-243 % similar Dimethylacetamide dimethyl acetal18871-66-435 % similar tert-Amyl methyl ether994-05-835 % similar 1-Bromo-2,2-dimethoxypropane126-38-533 % similar 1,1,1-Trimethoxypropane24823-81-232 % similar 1,1,1-Trimethoxy-2-methylpropane52698-46-132 % similar

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

Same formula

2-(2-Methoxyethoxy)ethanol111-77-3 1,1,2-Trimethoxyethane24332-20-5 1,3-Dimethoxy-2-propanol623-69-8 Trimethylolethane77-85-0

Elsewhere

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