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
    1.9145    0.2379    0.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7253    0.3360   -0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3976   -0.5407    0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7696   -0.0082    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2060   -0.1272    1.2975 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1009   -0.4765    1.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7064    0.8816    0.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5412    1.0623   -0.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2370   -1.6444    0.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5158   -0.7603   -0.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8622    1.0394   -0.3291 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