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
-1.7624 -0.8978 0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8895 -0.0823 -0.5955 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0119 0.6034 0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8031 -0.2311 1.0159 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5560 -1.0239 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6760 1.7439 -0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2053 1.9895 0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2259 -1.6648 0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4037 -1.4036 -0.6546 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3813 -0.2215 0.7504 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2094 -1.6929 0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1330 -0.4131 -0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8552 -1.6650 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3452 2.2127 -1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6980 2.7466 1.2045 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