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
0.9712 -1.5355 -0.5287 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9073 -0.2561 -0.8693 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1680 0.7187 -0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2098 0.7321 -0.2570 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7848 -0.2716 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8562 1.5130 0.7655 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6831 2.1490 -0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8200 -1.9749 -1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3298 -1.7811 0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1183 -2.2069 -0.7914 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6010 -1.2518 0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4234 -0.2963 1.5213 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9042 -0.1673 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2252 1.5779 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8441 3.0508 -1.0462 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