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
    1.6967   -0.0996   -0.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5386    0.4552   -0.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1640    0.0622    0.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6274   -0.2665    0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1533    0.8821    1.2268 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1185   -0.8218   -0.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2071    0.1782   -1.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1052    1.1942   -1.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3944   -0.5171    1.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1030    0.0370   -0.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0128   -1.1037    1.0779 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