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
    1.6923    0.2735    0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7993   -0.7050    0.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6368   -0.4795    0.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3791    0.6346   -0.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2986   -0.5332   -0.9822 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7535    0.1039    0.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3240    1.2786    0.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1642   -1.7258    0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1767   -1.2253    0.9864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3718    0.8548    0.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8702    1.5235   -0.5799 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