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
   -1.5011    0.4116   -0.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9084   -0.1780    0.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4768   -0.6879    0.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4522    0.2482   -0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0254   -0.9323   -0.8018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5038    0.7841   -0.4139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9659    0.5262   -1.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4437   -0.2942    1.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8305   -1.3481    1.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0569    1.1567   -0.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810    0.3137    0.1857 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