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
1.9677 -0.9220 0.5515 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4393 -0.6281 -0.6977 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1678 -0.0331 -0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7316 -0.8531 0.0999 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9779 -0.2896 0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2383 1.3816 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2382 1.0301 -1.4416 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3412 -1.6183 1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0307 0.0202 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0012 -1.2617 0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9305 0.6624 0.8453 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5467 -0.1726 -0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5754 -0.9893 0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4236 2.2215 0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6095 1.4518 -2.3501 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