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
-2.2364 0.3119 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 1.0485 -0.4644 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0057 0.3704 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1998 0.9099 -0.6631 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2776 0.1051 -0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0144 -0.5822 0.9102 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0660 -1.1181 -0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2094 0.8385 -0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0594 0.1429 1.1555 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3138 -0.6520 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3645 -0.0414 0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1392 -0.9156 -0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2009 0.5985 -0.6776 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0097 -0.6608 1.9995 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1159 -2.0623 -0.8554 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