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
-2.2776 -0.2872 -0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1415 -0.9458 -0.7720 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0100 -0.3946 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1754 -1.0012 -0.5704 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2896 -0.4478 0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0965 0.5067 0.9407 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0359 1.1000 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3578 -0.4097 0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1438 -0.7641 -0.8327 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1936 0.7905 -0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1755 -0.9929 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3831 0.6002 -0.2941 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2430 -0.5502 1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1939 0.7735 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1122 2.0225 -0.8714 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