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
1.9506 -0.4572 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7440 -0.5996 -0.5236 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1871 0.3267 -0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4376 0.2455 -0.7287 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0547 -0.9733 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3272 1.7462 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0641 1.1565 1.0384 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8612 -0.5677 1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6202 -1.2987 -0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4844 0.4839 -0.1133 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4582 -1.8310 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0192 -0.9493 -1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3179 -1.1565 0.5484 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7083 2.5221 -0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1574 1.3524 2.1034 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