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
-1.4616 -1.0740 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4331 -0.4206 -1.0327 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0458 0.5696 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5454 0.0542 1.0274 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5866 -0.8064 0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5048 1.8433 -0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8266 1.7554 -0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2224 -0.3007 -0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8527 -1.9059 -0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0871 -1.5179 0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4135 -0.2968 0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2645 -1.6477 0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0169 -1.1496 1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2102 2.5468 -1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7042 2.3502 0.1178 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