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
-1.5692 -1.4790 0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1012 -0.9051 -1.0652 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0933 -0.0013 -0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9402 -0.6303 0.0104 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9354 0.2262 0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0511 1.3467 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6844 1.1408 0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3685 -2.2127 -0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6894 -1.8819 0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9737 -0.6716 0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3845 0.7393 -0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5603 0.9838 1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7074 -0.3774 0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1921 2.1452 -1.8077 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1891 1.5773 0.9564 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