Monomers

Butadiene monoxide

Identifiers

IUPAC name
2-ethenyloxirane
InchI
InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2
InchI Key
GXBYFVGCMPJVJX-UHFFFAOYSA-N
SMILES
C=CC1CO1
Canonical SMILES
C=CC1CO1
Isomeric SMILES
C=CC1CO1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O
Heavy Atom Count
5
Molecular Weight
70.091
Exact Molecular Weight
70.0419
Valence Electrons
28
Radical Electrons
0
tPSA
12.53
MolLogP
0.5712
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.7522    0.2172   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6982    0.4795    0.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4691   -0.4185    0.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5827   -0.1160   -0.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7503   -1.1682   -0.6830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7675   -0.6804   -0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6037    0.8865   -0.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6761    1.3874    1.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6028   -1.0613    1.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6174   -0.2818   -0.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4753    0.7557   -1.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  3  1  0
  1  6  1  0
  1  7  1  0
  2  8  1  0
  3  9  1  0
  4 10  1  0
  4 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers