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
    1.6774    0.3794   -0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7513    0.4288    0.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3570   -0.5523    0.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6348   -0.1323    0.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103   -0.8332   -0.6588 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6265   -0.3629   -0.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032    1.0696   -0.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8106    1.1790    1.5511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2299   -1.5281    1.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5802   -0.5826    0.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7568    0.9346   -0.0745 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