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
2.1238 -0.5313 0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4412 0.2486 1.1114 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1133 0.3223 0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4694 -0.9317 0.5250 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7707 -0.8907 0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0193 1.2784 -0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6767 1.5030 0.8014 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6752 -1.5394 0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1947 -0.6069 0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0093 -0.0714 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4545 -0.3197 0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1540 -1.9266 0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7767 -0.4982 -0.9729 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0694 1.7582 -1.4561 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3056 2.2057 1.2963 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