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
    1.6290    0.4749    0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8800   -0.4951   -0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5825   -0.3399   -0.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4229    0.2371    0.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4384   -1.1784    0.1795 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1913    1.4244    0.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6877    0.3378    0.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3300   -1.4418   -0.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9323   -0.2793   -1.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9691    0.5404    1.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3728    0.7199    0.1496 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