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
    1.7387    0.2341   -0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6395    0.3635    0.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4745   -0.5556    0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5383   -0.0027   -0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7454   -0.3106    0.8269 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7943   -0.5384   -0.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6066    0.8759    0.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6283    1.1595    1.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1895   -1.6148    0.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8973   -0.7033   -1.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    1.0923   -0.7087 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