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
2.3183 -0.2723 -0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1655 -0.8710 -0.7595 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0136 -0.3717 -0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1539 -0.9579 -0.6428 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2919 -0.4525 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0377 0.4941 0.9773 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0473 1.1352 -0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1821 -0.7241 -0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2763 0.7904 -0.5235 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4203 -0.4226 0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1585 -0.9788 -0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2916 -0.7476 1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4409 0.6185 -0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0821 0.7285 2.0362 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1119 2.0316 -0.8228 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