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
1.9642 -0.3850 0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9233 0.0827 -0.6575 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1229 0.6207 0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7138 -0.3105 0.9472 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1890 -1.3422 0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1463 1.2948 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3589 2.0230 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3917 0.4380 0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7762 -0.7355 -0.5294 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6302 -1.2045 0.7962 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9612 -0.9921 -0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3504 -1.8184 -0.3697 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7044 -2.1322 0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9229 1.4506 -1.5166 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2157 3.0105 0.5944 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