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
-1.4693 1.3648 -0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1291 1.0728 -0.2334 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 -0.2689 -0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4729 -0.5691 -0.6064 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2115 -0.2213 0.5105 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7186 -1.2156 0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8439 -1.1290 -1.0868 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5406 2.4680 0.0876 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0910 1.1368 -0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8993 0.8976 0.8251 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2725 -0.4978 0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8716 -0.6983 1.4421 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1991 0.8994 0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0759 -1.7032 1.2119 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3812 -1.5361 -1.9197 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