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
   -1.4080    0.7549    0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8616    0.1197   -0.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2916   -0.7797   -0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4358   -0.1545    0.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4627   -0.6381   -1.0576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0619    0.6541    1.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2421    1.4098    0.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2599    0.2713   -1.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0160   -1.8181   -0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0780   -0.7597    1.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5494    0.9402    0.3092 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