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
2.1682 -0.4664 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5337 0.1970 -0.7715 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1606 0.2739 -0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4416 -0.9722 -0.4211 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8101 -0.8819 -0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5329 1.4882 -0.7441 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1988 1.1950 0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2460 -0.5416 0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7538 -1.4953 0.2944 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8699 0.0109 1.2461 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9334 -0.3068 0.7562 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1916 -1.8973 0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3602 -0.3641 -0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0334 2.2670 -1.3024 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2302 1.4934 1.6242 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