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
    1.9273    0.1917    0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6694    0.5253   -0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3911   -0.4576   -0.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7204   -0.1652    0.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9145   -1.2205    0.6668 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6812    0.9531    0.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1944   -0.8551   -0.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3541    1.5778   -0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4121   -0.9034   -1.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6192   -0.3417   -0.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7692    0.6955    1.0080 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