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
-2.1143 -0.9283 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8335 -1.4394 0.0274 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1090 -0.4191 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4066 -0.8563 -0.2913 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3142 0.1792 -0.3919 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0281 0.7145 0.8726 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3709 0.8571 -0.5323 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1852 -0.3287 1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4183 -0.2658 -0.5942 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8157 -1.7809 0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3174 -0.2562 -0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0859 0.8996 -1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2741 0.7579 0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0018 1.2791 1.7894 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7394 1.5875 -1.2313 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