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
2.1815 -0.7602 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4231 -0.2815 -0.5151 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1529 0.1281 -0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5872 -0.9020 0.4712 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8555 -0.4543 0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5324 0.9698 -1.1272 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1882 1.5033 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3351 -0.0032 1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6485 -1.6400 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1644 -1.0613 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6976 0.3602 1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3672 -1.3077 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4536 -0.1270 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9985 1.1546 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2253 2.4212 0.6729 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