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
    1.5985   -0.4503    0.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8939    0.6329   -0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5612    0.6462    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3919   -0.5104   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1792    0.3694   -1.2374 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0666   -1.3334    0.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763   -0.5043    0.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4003    1.5348   -0.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0128    1.5643    0.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4693   -0.4272    0.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0212   -1.5219   -0.2418 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