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
    1.4833    0.2895   -0.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9141   -0.4209    0.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310   -0.2395    0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3405    0.2246   -0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4476   -1.0974    0.1577 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5489    0.1698   -0.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9409    0.9992   -1.0592 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4523   -1.1370    1.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.1395    1.7619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2255    0.8818   -0.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9449    0.1903   -1.4199 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