2,2-Diethoxypropane
Properties
- Molecular formula
- C7H16O2
- Molar mass
- 132.20 g/mol
- Exact mass
- 132.1150 Da
- Density
- 0.824 g/mL (at 25 °C)
- Boiling point
- 114 °C
- logP
- 1.80Crippen estimate
- Polar surface area
- 18.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
126-84-1SMILES
CCOC(C)(C)OCCInChIKey
FGQLGYBGTRHODR-UHFFFAOYSA-NInChI
InChI=1S/C7H16O2/c1-5-8-7(3,4)9-6-2/h5-6H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Propane, 2,2-diethoxy-
- Acetone, diethyl acetal
- Acetone diethyl ketal
- NSC 528014
Work with 2,2-Diethoxypropane
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
Ethyl tert-butyl ether637-92-356 % similar
Triethyl orthoacetate78-39-756 % similar
2,2-Dimethyl-1,3-dioxolane2916-31-653 % similar
Tetraethoxymethane78-09-153 % similar
Triethyl orthopropionate115-80-047 % similar
2,2-Dibutoxypropane141-72-045 % similar
2,2-Diethoxypropionitrile56011-12-242 % similar
1,1-Diethoxycyclohexane1670-47-941 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds