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
-1.9247 -1.2615 0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3312 -0.1862 0.9504 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1795 0.2495 0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8003 -0.7027 0.1788 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9335 -0.2628 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2997 1.5936 0.6775 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2935 1.4131 -0.5288 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1951 -2.0829 0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3575 -0.9920 -0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7764 -1.5787 0.9574 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7311 0.0756 -1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3944 0.6190 0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6871 -1.0678 -0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7811 2.2052 1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5692 1.9785 -1.4087 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