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
-1.7405 -1.3964 -0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1159 -0.5029 -1.1950 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0722 0.1858 -0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8991 -0.6739 -0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9398 -0.0443 0.5791 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1564 1.5616 -0.8546 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5120 1.2317 0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5425 -1.8930 -0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0400 -2.1088 0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2829 -0.8154 0.4933 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6055 0.5501 1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5414 0.6089 -0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5973 -0.8365 0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4900 2.4011 -1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9235 1.7322 1.2639 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