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
-1.9890 -0.5883 -0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2905 0.5810 -1.0544 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0756 0.5065 -0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6521 -0.6365 -0.6636 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8376 -0.7256 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5129 1.6589 0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2580 0.8434 1.1107 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3313 -1.4332 -0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0137 -0.5907 0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9888 -0.6299 -1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6546 -0.7584 1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3265 -1.6762 -0.2648 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4648 0.1592 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1140 2.5674 0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6158 0.7225 2.1101 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