chempirical

Allyl ether

C6H10OCAS 557-40-498.14 g/mol

Open in Covalent MOL file
O
AlkeneEther

Properties

Molecular formula
C6H10O
Molar mass
98.14 g/mol
Exact mass
98.0732 Da
Density
0.8449 g/mL (at 0 °C)
Melting point
−6 °C
Boiling point
94 °C
logP
1.38Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
557-40-4
SMILES
C=CCOCC=C
InChIKey
ATVJXMYDOSMEPO-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2

Weigh it out

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

Names and synonyms

9 names
  • 1-Propene, 3,3′-oxybis-
  • 3,3′-Oxybis[1-propene]
  • Diallyl ether
  • 4-Oxahepta-1,6-diene
  • 3-(Allyloxy)-1-propene
  • Bis(allyl) ether
  • 3,3′-Oxybis-1-propene
  • NSC 7619
  • 3-(2-Propenoxy)-1-propene

Work with Allyl ether

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

3-Ethoxy-1-propene557-31-361 % similar Ethylene glycol monoallyl ether111-45-555 % similar 3-Propoxy-1-propene1471-03-055 % similar Polyethylene glycol monoallyl ether27274-31-355 % similar Allyl glycidyl ether106-92-352 % similar Silicic acid (H4sio4) tetra-2-propen-1-yl ester1067-43-250 % similar Tetrakis(allyloxy)ethane16646-44-950 % similar Boric acid (H3bo3) tri-2-propen-1-yl ester1693-71-650 % similar

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

Same formula

3-Hexyn-1-ol1002-28-4 2-(3-Buten-1-yl)oxirane10353-53-4 1-Hexyn-3-ol105-31-7 Cyclohexanone108-94-1 5-Hexen-2-one109-49-9 3-Hexyn-2-ol109-50-2 2,4-Hexadien-1-ol111-28-4 2-Methylcyclopentanone1120-72-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook