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
-1.7901 -0.9099 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8527 -0.1943 -1.1239 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1033 0.6308 -0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6071 -0.0800 0.7186 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4524 -0.9310 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1698 2.0490 -0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8365 1.5068 -1.0745 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4408 -0.1621 0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3327 -1.5562 -1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2890 -1.5598 0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0797 -1.5595 0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8631 -1.6031 -0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0247 -0.2599 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5582 3.0175 -0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6730 1.6118 -1.7478 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