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
    1.5556    0.2354   -0.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7822   -0.6996    0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6937   -0.6915    0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3079    0.7034    0.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3308   -0.1195   -0.9914 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6221    0.1513   -0.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1562    1.0936   -0.8607 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2590   -1.5321    0.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2195   -1.4947    0.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6236    1.5704    0.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1996    0.7833    0.7589 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