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
-2.2473 -0.6136 0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5284 0.2325 -0.6179 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1835 0.2934 -0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4847 -0.9347 -0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8235 -0.7985 0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5695 1.4006 -0.9155 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3235 1.4023 0.4857 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3090 -0.6324 -0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2012 -0.3083 1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8211 -1.6301 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9319 -0.3981 1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2937 -1.8014 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3292 -0.1613 -0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0403 1.9752 -1.7055 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4940 1.9743 1.3904 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