1,1,3,3-Tetramethoxypropane
Properties
- Molecular formula
- C7H16O4
- Molar mass
- 164.20 g/mol
- Exact mass
- 164.1049 Da
- Density
- 0.9895 g/mL (at 20 °C)
- Boiling point
- 183 °C
- logP
- 0.61Crippen estimate
- Polar surface area
- 36.9 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 6
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation63.5% of notifiers
Aggregated from 167 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
102-52-3SMILES
COC(CC(OC)OC)OCInChIKey
XHTYQFMRBQUCPX-UHFFFAOYSA-NInChI
InChI=1S/C7H16O4/c1-8-6(9-2)5-7(10-3)11-4/h6-7H,5H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Propane, 1,1,3,3-tetramethoxy-
- Malonaldehyde, bis(dimethyl acetal)
- Tetramethoxypropane
- Malonaldehyde tetramethyl acetal
- Malondialdehyde tetramethyl acetal
- NSC 27794
- 1,1,3,3-Tetrakis(methyloxy)propane
Work with 1,1,3,3-Tetramethoxypropane
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
1,1,3-Trimethoxybutane10138-89-361 % similar
2,5-Dimethoxytetrahydrofuran696-59-353 % similar
Aminoacetaldehyde dimethyl acetal22483-09-650 % similar
1,1,2-Trimethoxyethane24332-20-550 % similar
2,2-Dimethoxyethanol30934-97-550 % similar
2-Bromo-1,1-dimethoxyethane7252-83-750 % similar
Chloroacetaldehyde dimethyl acetal97-97-250 % similar
(Methylamino)acetaldehyde dimethyl acetal122-07-645 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds