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
   -1.7551    0.2303   -0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7608   -0.6147    0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5325   -0.3951   -0.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    0.4415    0.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6582   -0.9416    0.1224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6235    1.0971   -0.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7032    0.0522    0.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9169   -1.4365    0.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4645   -0.2902   -1.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2214    1.0600   -0.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3093    0.7970    1.2364 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