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
    1.7556   -0.2826   -0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7743    0.5441   -0.6245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5270    0.5514    0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4018   -0.5772    0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6402    0.4539   -0.9151 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7110   -0.2738   -0.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6267   -0.9992    0.5377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9304    1.2422   -1.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6812    1.3983    0.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2777   -1.5271   -0.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2701   -0.5300    0.8220 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