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
1.8900 -0.6361 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6216 -0.8535 0.4120 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1726 0.2849 0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4546 0.0662 0.9105 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1429 -0.8951 0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4519 1.5324 0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1109 1.4149 -0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4319 -1.6035 -0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4185 0.0438 0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9073 -0.2177 -1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1986 -0.4880 -0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1903 -0.9375 0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6961 -1.8857 0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8855 2.2133 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1375 1.9616 -1.3883 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