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
-1.8247 -1.2093 0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1858 -0.2055 1.2127 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0696 0.2181 0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9162 -0.7183 0.2284 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9489 -0.1489 -0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3683 1.1167 -0.6635 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1691 1.6393 0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2054 -2.0947 0.3371 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2206 -0.8617 -0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6997 -1.5317 1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4134 0.6847 0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6990 -0.9430 -0.6769 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6610 0.2675 -1.4584 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7441 1.2205 -1.6659 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5105 2.5663 0.9218 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