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
    2.2259   -0.2843    0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4634   -0.2493   -0.8631 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1143   -0.0283   -0.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4610   -0.9887    0.2050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8081   -0.7478    0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6376    0.7396   -1.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3034    1.4117   -0.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8955   -1.0958    0.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2640   -0.5423   -0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2773    0.6787    0.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9383    0.2266    0.9832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1755   -1.5187    1.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4348   -0.7832   -0.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1540    0.8588   -2.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3278    2.3231    0.1765 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