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
    2.0160   -0.7854   -0.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4350    0.4809   -0.7093 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1734    0.4657   -0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7387   -0.3440   -0.7959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9939   -0.3291   -0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1809    0.5111    1.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2487    1.6686    0.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1351   -1.2221    0.2673 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9960   -0.7926   -1.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3318   -1.4176   -1.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4513    0.6673   -0.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6890   -1.0006   -0.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8546   -0.7558    0.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3160    0.1813    2.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6079    2.6722    0.7172 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