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
    1.7156   -0.0977    0.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7992    0.0307   -0.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5905   -0.4180   -0.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4693    0.4262    0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0448   -0.8983    0.7372 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3679   -0.5652    1.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7312    0.2513    0.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0997    0.4940   -1.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0430   -0.9196   -1.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5081    0.5340    0.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0580    1.1625    1.0595 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