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
   -1.8787   -0.2888   -0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6005   -0.5184   -0.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3658    0.5842   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7287    0.1395    0.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5397    0.6060   -0.9021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2209    0.6855    0.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6397   -1.0706   -0.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3077   -1.5019   -0.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0017    1.5657    0.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1177    0.7628    1.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8973   -0.9640    0.5042 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