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
-1.9665 -1.0256 -0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3121 -0.2590 -1.1027 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1002 0.1988 -0.5696 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7487 -0.8144 -0.1847 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9426 -0.3943 0.3406 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2967 1.2643 0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2795 1.5439 -0.8107 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1473 -0.3892 0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8827 -1.4506 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2355 -1.8257 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7942 0.2388 1.2605 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4937 -1.2932 0.6911 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5998 0.1376 -0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5935 1.6886 1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6761 2.3800 -1.3553 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