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
   -1.9641    0.3233   -0.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7650    0.7833    0.1515 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1582   -0.1908    0.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3703    0.3103    0.9335 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9043    1.1292   -0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1870   -1.5125    0.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3229   -1.3684   -0.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8870   -0.2608   -1.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5973    1.2040   -0.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5011   -0.2484    0.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0532    0.4910   -0.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    1.9623   -0.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8556    1.5700    0.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5453   -2.2644    1.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5743   -1.9281   -1.3255 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