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
2.1014 0.4074 0.6938 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9103 1.1098 0.9037 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0765 0.4502 0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3722 0.9658 0.2237 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2466 0.2054 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3233 -0.3264 -1.0276 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0622 -1.0353 0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9081 -0.6293 1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9512 0.8228 1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2645 0.4077 -0.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8605 0.2402 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2380 0.6951 -0.5244 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3708 -0.8125 -0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6170 -0.4982 -2.0484 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0268 -2.0027 0.6393 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