chempirical

[2-(1-Ethoxyethoxy)ethyl]benzene

C12H18O2CAS 2556-10-7194.27 g/mol

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OO
AcetalEther

Properties

Molecular formula
C12H18O2
Molar mass
194.27 g/mol
Exact mass
194.1307 Da
Boiling point
67–70 °C (at 7 Torr)
logP
2.63Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Hazards

Not classified as hazardous under GHS by 1,565 ECHA notifiers. Aggregated from 1,565 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
2556-10-7
SMILES
CCOC(C)OCCc1ccccc1
InChIKey
QQDGMPOYFGNLMT-UHFFFAOYSA-N
InChI
InChI=1S/C12H18O2/c1-3-13-11(2)14-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3

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Names and synonyms

8 names
  • Benzene, (2-(1-ethoxyethoxy)ethyl)-
  • Benzene, [2-(1-ethoxyethoxy)ethyl]-
  • Acetaldehyde, ethyl phenethyl acetal
  • Ethane, 1-ethoxy-1-(phenethyloxy)-
  • Acetaldehyde ethyl 2-phenylethyl acetal
  • 1-Ethoxy-1-(2′-phenylethoxy)ethane
  • Efetaal
  • 1-(2-((1-(Ethyloxy)ethyl)oxy)ethyl)benzene

Work with [2-(1-Ethoxyethoxy)ethyl]benzene

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

1,1-Diethoxyethane105-57-756 % similar (Diethoxymethyl)benzene774-48-153 % similar (Benzylamino)acetaldehyde diethyl acetal61190-10-147 % similar (2-Methoxyethyl)benzene3558-60-947 % similar 1,1-Diethoxy-3-phenyl-2-propanone19256-31-646 % similar (3Z)-1-(1-Ethoxyethoxy)-3-hexene28069-74-146 % similar Ethyl phenyl ether103-73-143 % similar Diethyl P-(phenylmethyl)phosphonate1080-32-643 % similar

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

Same formula

Hexylresorcinol136-77-6 1,1-Dimethylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate154970-45-3 4-(Hexyloxy)phenol18979-55-0 3,5-Di(propan-2-yl)phenyl hydroperoxide26762-93-6 α1,α1,α4,α4-Tetramethyl-1,4-benzenedimethanol2948-46-1 7,7'-Dioxa-3,3'-bi(bicyclo[4.1.0]heptane)37777-16-5 1-Adamantaneacetic acid4942-47-6 Sedanolide6415-59-4

Elsewhere

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