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
-0.5734 0.2389 1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4984 -0.2432 0.9613 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0143 -0.5259 -0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5664 0.6020 -0.9501 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4771 1.5179 -1.0734 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5274 -1.8493 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7413 -1.4283 -1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2702 0.5000 2.7423 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3121 -0.5903 1.8191 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0783 1.0517 1.1652 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1761 2.4512 -1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2849 1.0542 -1.6845 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8567 1.7144 -0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1864 -2.6842 -0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4941 -1.8090 -1.8539 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