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
-2.2474 -0.1610 -0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2757 -0.3125 -1.1909 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0270 -0.0977 -0.6077 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1179 -0.1908 -1.3716 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2010 0.0734 -0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1317 -0.6069 0.7826 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0441 0.7127 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1615 0.8738 0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1786 -0.9265 0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2376 -0.2270 -0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2374 -0.6521 0.3061 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9902 1.0790 -0.0761 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1487 0.1745 -1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2384 -1.4866 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0185 1.7475 0.9941 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