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
2.2259 -0.2843 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4634 -0.2493 -0.8631 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1143 -0.0283 -0.5909 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4610 -0.9887 0.2050 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8081 -0.7478 0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6376 0.7396 -1.5534 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3034 1.4117 -0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8955 -1.0958 0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2640 -0.5423 -0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2773 0.6787 0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9383 0.2266 0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1755 -1.5187 1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4348 -0.7832 -0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1540 0.8588 -2.5007 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3278 2.3231 0.1765 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