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
1.9122 -1.0643 0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5109 -0.1452 -0.8251 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2161 0.2818 -0.4567 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6891 -0.7652 -0.4125 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9611 -0.3790 -0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2471 1.2393 0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1535 1.6372 -0.6961 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2009 -1.9374 0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9983 -0.5605 1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9048 -1.5027 -0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4059 0.3723 -0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6157 -1.2810 -0.1652 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0605 -0.0634 0.9978 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3701 1.6470 1.6457 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4746 2.5210 -1.2085 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