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
    1.6337    0.8090   -0.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759    0.3045    0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2325   -0.6891   -0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6454   -0.3702    0.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2481   -0.2958   -1.0092 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6109    0.5044   -1.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    1.5274   -0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7717    0.5877    1.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0440   -1.7481   -0.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2227   -1.2481    0.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8396    0.6181    0.7752 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