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
1.8045 0.5957 0.6073 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6325 0.8418 -0.0926 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1384 -0.2855 -0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3242 -0.0299 -0.9843 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0997 0.9146 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0987 -1.4326 0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6198 -1.5036 -0.6768 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3705 1.5434 0.7152 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4542 -0.0711 -0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6261 0.1217 1.5979 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3516 0.5171 0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9949 1.1840 -0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4090 1.7953 -0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3280 -2.0127 1.4505 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2368 -2.1782 -1.2570 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