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
   -1.9157   -0.1523   -0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6937   -0.4570    0.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3738    0.5596    0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7699    0.0056   -0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0992    0.7655   -1.0093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7080   -0.9137   -0.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1243    0.8481   -0.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4603   -1.4526    0.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2530    1.4132    0.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8677   -1.0691   -0.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5384    0.4527    0.5777 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