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
1.7079 -0.8028 0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5302 -0.9724 -0.0205 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0074 0.1909 -0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1988 -0.0049 -1.2236 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0806 -0.5821 -0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7655 1.3961 -0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0921 1.3252 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6131 -0.1474 1.5532 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5041 -0.4389 -0.0332 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0540 -1.8032 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6753 -1.5388 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1036 0.1305 0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0716 -0.6978 -0.7301 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4653 2.0632 -1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4107 1.8823 1.3083 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