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
   -1.7303    0.2174   -0.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7532   -0.6434   -0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6058   -0.5380   -0.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    0.5152   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9717    0.5543   -1.4038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7175    0.0961    0.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6023    1.0817   -0.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9683   -1.4780    0.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1397   -1.4806   -0.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5593    0.3231    0.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0205    1.3523    0.5518 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