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
2.2594 0.6012 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0913 0.9309 0.7915 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0325 0.3271 0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2135 0.6481 0.8875 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3225 0.0411 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.3343 -1.0352 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1414 -1.1633 0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4744 -0.4746 0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2020 0.9299 -0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0795 1.1708 0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2047 0.3647 0.9197 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4696 0.5348 -0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2454 -1.0435 0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0364 -0.3674 -2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2767 -2.1655 0.4496 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