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
1.9600 -0.3617 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8236 0.1175 0.6827 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2331 0.3207 -0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3795 0.7979 0.4350 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8575 -0.0718 1.4116 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2519 -0.3050 -1.4734 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0710 1.0475 -1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7952 -0.5174 0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2966 0.3658 -0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7730 -1.3626 -0.4265 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1165 -1.0616 1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0738 -0.1137 2.2112 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7645 0.3438 1.8945 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3825 -1.1352 -2.1459 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3400 1.9358 -2.0218 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