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
    1.5172    0.4862    0.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8354   -0.6309    0.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5091   -0.6838   -0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4726    0.3664   -0.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6256    0.3830   -1.3120 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1178    1.4506    0.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5204    0.5455    0.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2902   -1.5379    0.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8349   -1.6748   -0.6904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5240    0.1368   -0.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3149    1.1591    0.5861 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