chempirical

1-Methoxy-1,3-butadiene

C5H8OCAS 3036-66-684.12 g/mol

Open in Covalent MOL file
O
AlkeneEther

Properties

Molecular formula
C5H8O
Molar mass
84.12 g/mol
Exact mass
84.0575 Da
Density
0.834 g/mL (at 20 °C)
Boiling point
91.5 °C
logP
1.33Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
3036-66-6
SMILES
C=CC=COC
InChIKey
KOCUMXQOUWPSLK-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O/c1-3-4-5-6-2/h3-5H,1H2,2H3

Weigh it out

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

Names and synonyms

6 names
  • 1,3-Butadiene, 1-methoxy-
  • Ether, 1,3-butadienyl methyl
  • 1-Methoxybutadiene
  • 1,3-Butadienyl methyl ether
  • NSC 9182
  • 4-Methoxy-1,3-butadiene

Work with 1-Methoxy-1,3-butadiene

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-Acetoxy-1,3-butadiene1515-76-041 % similar Methyl vinyl ether107-25-540 % similar trans-1,3-Pentadiene2004-70-840 % similar Piperylene504-60-940 % similar 1-Methoxypropene7319-16-640 % similar Poly(vinyl methyl ether)9003-09-240 % similar 1,3-Hexadiene592-48-333 % similar 1,3,3-Trimethoxy-1-propene17576-35-132 % similar

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

Same formula

3-Pentyn-1-ol10229-10-4 3-Methyl-2-butenal107-86-8 3,4-Dihydropyran110-87-2 2-Methylbut-3-yn-2-ol115-19-5 Cyclopentanone120-92-3 3-Cyclopenten-1-ol14320-38-8 (E)-2-Pentenal1576-87-0 1-Penten-3-one1629-58-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook