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
    1.6289   -0.3600   -0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7989    0.2439    0.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5092    0.7187    0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4749   -0.3622   -0.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8910    0.5506   -1.1513 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3724   -0.5187   -1.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005   -0.7239    0.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0795    0.3887    1.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9395    1.6390    0.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5549   -0.1944    0.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1106   -1.3816   -0.3707 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