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
    1.9295   -0.0668   -0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7515   -0.4546    0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4001    0.4891    0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7272   -0.0357    0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2295    0.4636   -1.1474 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0622    0.9513   -0.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7405   -0.7698   -0.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5693   -1.4925    0.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2084    1.5640    0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8631   -1.1468    0.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6247    0.4982    0.4756 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