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
   -1.6284    0.3935    0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8630   -0.6607    0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5275   -0.5459   -0.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4214    0.5048   -0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5589   -0.8051    0.4483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6170    0.2722    0.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2236    1.3582    0.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2668   -1.6394    0.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6475   -0.9728   -1.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2269    1.2461    0.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2166    0.8491   -0.7567 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