Monomers

3,3-Dimethoxycyclopropene

Identifiers

IUPAC name
3,3-dimethoxycyclopropene
InchI
InChI=1S/C5H8O2/c1-6-5(7-2)3-4-5/h3-4H,1-2H3
InchI Key
LOWCCDYETQYXQP-UHFFFAOYSA-N
SMILES
COC1(OC)C=C1
Canonical SMILES
COC1(C=C1)OC
Isomeric SMILES
COC1(C=C1)OC
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
18.46
MolLogP
0.5453
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.4693    1.3648   -0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1291    1.0728   -0.2334 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213   -0.2689   -0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4729   -0.5691   -0.6064 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2115   -0.2213    0.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7186   -1.2156    0.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8439   -1.1290   -1.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5406    2.4680    0.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0910    1.1368   -0.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8993    0.8976    0.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2725   -0.4978    0.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8716   -0.6983    1.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1991    0.8994    0.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759   -1.7032    1.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3812   -1.5361   -1.9197 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  2  0
  7  3  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  5 11  1  0
  5 12  1  0
  5 13  1  0
  6 14  1  0
  7 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers