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
-2.3458 -0.1306 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2457 -0.4863 0.9197 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0445 -0.2667 0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0591 -0.6339 1.1018 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2526 -0.3936 0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1195 0.0421 -1.0877 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0785 1.1228 -0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3095 -0.7470 -0.7898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4006 0.9334 -0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2942 -0.4185 0.6454 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3735 0.6887 0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0700 -0.6239 1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3639 -1.0392 -0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 -0.2326 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1041 2.1853 -0.0750 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