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
    1.5691   -0.2497    0.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7733    0.7192   -0.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6321    0.4653   -0.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3203   -0.5428    0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0343   -0.7995   -0.9946 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5915   -0.0056    0.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927   -1.2623    0.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1485    1.7294   -0.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2374    1.3400   -0.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6940   -1.1190    1.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3569   -0.2748    0.6305 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