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
1.8706 0.4235 0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6215 1.0273 0.1348 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1253 0.0465 -0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4209 0.4137 -0.9040 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0829 0.7388 0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0250 -1.3211 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4963 -1.0602 -1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5468 1.1127 0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6795 -0.5072 0.9533 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2783 0.1686 -0.6165 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0389 -0.2112 0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4538 1.5204 0.7779 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1214 1.0456 0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2532 -1.9896 0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0282 -1.4078 -2.1117 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