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
-2.3069 0.3237 0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1857 1.1445 0.2368 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0341 0.4455 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1099 1.2250 -0.1364 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2410 0.4497 -0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0801 -0.8827 -0.6172 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2229 -0.8259 0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2414 -0.4148 1.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2392 0.9095 0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3759 -0.2390 -0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4222 -0.2871 0.4315 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1092 1.1553 -0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1288 -0.0721 -1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2299 -1.5233 -1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4592 -1.4083 1.6353 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