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
   -1.7246    0.3438    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8265   -0.6109    0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5632   -0.5123   -0.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5070    0.3966    0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9063    0.6335   -1.0473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4192    1.2109   -0.5566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7076    0.2037    0.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0576   -1.5080    0.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8983   -1.4487   -0.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5956    0.1093    0.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2651    1.1821    0.9380 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