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
-1.7847 -0.5490 -0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9952 0.3900 0.4849 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1767 0.5159 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8712 -0.6981 -0.3845 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1953 -1.0610 0.9287 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9660 1.7338 -0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1419 1.4439 -1.4098 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0674 -0.2752 -1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7361 -0.7319 0.4165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2784 -1.5505 -0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7559 -2.0352 0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9057 -0.3411 1.3873 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3224 -1.2065 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6293 2.4882 0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1025 1.8767 -2.3551 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