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
    1.8300    0.1325   -0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7595    0.1720    0.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4817   -0.5830    0.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6889    0.1945   -0.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8426   -0.4491   -1.1422 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8587   -0.4486   -1.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7294    0.6813    0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8135    0.7739    1.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7032   -1.5207    0.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5904    1.2867   -0.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6845   -0.2395   -0.0908 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