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
1.7317 0.5935 -0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6444 -0.0658 -0.9654 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1376 -0.5676 0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5969 0.4695 0.9295 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3642 1.3115 0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2423 -1.8533 0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0036 -1.6812 -0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3531 -0.1018 0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4527 1.4235 0.2419 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4049 0.8931 -1.2471 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7819 2.1700 0.6625 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1657 0.6559 -0.3142 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7253 1.6038 -0.7478 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8018 -2.5848 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8556 -2.2662 -0.3837 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