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
1.7804 0.4896 -0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6013 0.4039 -1.0263 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2091 -0.5118 -0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4779 -0.0496 0.9853 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1422 1.1726 0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0025 -1.8882 -0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2488 -1.2432 -1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5932 0.8478 0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2152 -0.5406 -0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5316 1.1042 -0.8096 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5173 1.8775 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3261 1.5881 1.8281 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1193 1.0321 0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4838 -2.8466 -0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1671 -1.4360 -1.5147 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