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
1.9998 -1.0740 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3063 -0.7460 0.7535 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1059 -0.1021 0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8067 -0.8013 -0.2379 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9928 -0.1089 -0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2899 0.9370 1.4489 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1611 1.3696 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4516 -1.7421 -1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9275 -1.5943 -0.0871 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2658 -0.1101 -0.9228 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5205 0.1557 0.4732 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6435 -0.5967 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6866 0.8700 -0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6552 1.3461 2.3777 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3773 2.1970 -0.4619 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