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
-1.9540 -0.2470 0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8020 -0.7458 -0.1081 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1383 0.2091 -0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3037 -0.3217 -0.9911 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9167 -1.2242 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2415 1.5212 -0.9426 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2981 1.4045 0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4926 0.4706 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6411 -1.1121 0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7920 0.2134 1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2041 -2.0435 0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2815 -0.7311 0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8148 -1.6133 -0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6144 2.2717 -1.6312 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5803 1.9481 1.2576 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