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
   -2.3372    0.1314   -0.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2529   -0.6193   -0.7470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414   -0.1477   -0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0494   -0.9068   -0.7086 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2316   -0.3926   -0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0592    0.3699    1.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1885    1.2232    0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517    0.1740    0.7712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3030    1.1321   -0.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2495   -0.3904   -0.7193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075   -0.3999    0.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4571    0.6298   -0.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0571   -1.0643   -0.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0280    0.1106    2.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573    2.2639   -0.1500 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