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
   -1.9020   -0.3569    0.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6585   -0.6289   -0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3315    0.4577   -0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7384    0.2939    0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3109    0.3142   -1.2299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1863    0.6766    0.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6605   -1.0955    0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4298   -1.6720   -0.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0710    1.4812   -0.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2100   -0.6677    0.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3173    1.1974    0.4688 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