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
0.8815 -0.2814 1.8297 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2257 0.5606 0.9429 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3787 -0.1195 -0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0415 0.6986 -1.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2040 1.6235 -1.6087 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1878 -1.3287 0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0079 -1.4539 -0.3529 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1214 -0.9895 2.2565 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2901 0.3166 2.6665 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6942 -0.8575 1.3957 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6136 1.1891 -2.1768 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2340 2.3389 -0.8641 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8362 2.2419 -2.2798 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0779 -1.6855 0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6576 -2.2534 -0.7280 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