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
    1.9578   -0.1108    0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7515    0.4440    0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4922   -0.2969    0.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    0.0362   -0.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9283   -1.0602   -0.6072 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0213   -1.1676    0.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    0.5026    0.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6432    1.5199    0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7036   -0.6237    1.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6434    0.9604   -0.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7033   -0.2039    0.0831 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