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
-1.8065 -0.6129 -0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4328 -0.7855 -0.6618 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2626 0.3670 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6588 0.1857 -0.3768 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9996 -0.8384 0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1726 1.1865 0.8263 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2648 1.6851 -0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2644 -1.5834 -0.8947 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1790 0.1370 -1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1681 -0.4155 0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0999 -1.0102 0.4601 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6928 -0.5378 1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5284 -1.7951 0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3704 1.4615 1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5835 2.5561 -1.0765 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