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
    1.7893    0.0280    0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7175    0.1198   -0.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5354   -0.5591   -0.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5888    0.2994    0.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7232   -0.5233    1.1557 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8397   -0.5074    1.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6924    0.5234   -0.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7513    0.6725   -1.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9301   -1.4099   -0.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6256   -0.0300    0.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3871    1.3867    0.4051 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