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
   -1.7161   -0.3518    0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7805    0.5506    0.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5235    0.6190   -0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5600   -0.3253    0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7753   -0.6022   -1.1111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5008   -1.0909   -0.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6620   -0.3834    0.5633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0166    1.2942    1.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8754    1.5332   -0.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3191   -1.0155    0.9466 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6227   -0.2280   -0.2034 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