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
    1.9525   -0.2147   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6680   -0.4781    0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4131    0.5383    0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7577    0.0766   -0.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9684    0.9275   -1.0600 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6861   -1.0039    0.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2694    0.8340   -0.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3728   -1.5026    0.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517    1.3447    0.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6139    0.4441    0.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8439   -0.9659   -0.6856 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