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
    1.9122   -1.0643    0.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5109   -0.1452   -0.8251 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2161    0.2818   -0.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6891   -0.7652   -0.4125 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9611   -0.3790   -0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2471    1.2393    0.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1535    1.6372   -0.6961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2009   -1.9374    0.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9983   -0.5605    1.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9048   -1.5027   -0.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4059    0.3723   -0.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6157   -1.2810   -0.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0605   -0.0634    0.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3701    1.6470    1.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4746    2.5210   -1.2085 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