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
   -1.9682   -0.0420    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7465   -0.4523    0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4220    0.4060    0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7775    0.0104    0.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414   -0.0480   -1.0192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8468   -0.6612    0.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1201    0.9508   -0.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6109   -1.4444    0.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1990    1.4769   -0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5587    0.7923    0.4749 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0940   -0.9885    0.6484 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