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
    1.9107    0.2443    0.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6188    0.5070    0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4149   -0.5385    0.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6494   -0.1608   -0.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7510   -1.0994   -1.0171 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3055   -0.7787    0.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6280    1.0591    0.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2947    1.5388    0.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6218   -1.1458    1.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398   -0.4582   -0.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6808    0.8323   -1.0856 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