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
    0.9712   -1.5355   -0.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9073   -0.2561   -0.8693 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1680    0.7187   -0.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2098    0.7321   -0.2570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7848   -0.2716    0.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8562    1.5130    0.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6831    2.1490   -0.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8200   -1.9749   -1.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3298   -1.7811    0.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1183   -2.2069   -0.7914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6010   -1.2518    0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4234   -0.2963    1.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9042   -0.1673    0.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2252    1.5779    1.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8441    3.0508   -1.0462 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