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
-1.7126 -0.9132 0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4526 -0.9919 -0.1490 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0546 0.2688 -0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3285 0.1942 -1.0575 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1954 -0.4154 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7652 1.3609 -0.8473 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2755 1.3443 0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4528 -0.4395 -0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0501 -1.9663 0.5866 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6401 -0.4475 1.4334 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1964 -0.4539 -0.6663 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9225 -1.4779 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2861 0.1224 0.7853 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3815 1.9405 -1.5371 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2530 1.8748 1.4020 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