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
    2.1014    0.4074    0.6938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103    1.1098    0.9037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0765    0.4502    0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3722    0.9658    0.2237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2466    0.2054   -0.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3233   -0.3264   -1.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0622   -1.0353    0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9081   -0.6293    1.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9512    0.8228    1.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2645    0.4077   -0.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8605    0.2402   -1.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2380    0.6951   -0.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -0.8125   -0.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6170   -0.4982   -2.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0268   -2.0027    0.6393 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