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
1.5130 -1.1250 -0.4677 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1341 0.0623 -0.9417 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0247 0.7225 -0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2271 0.2282 -0.6398 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6545 -0.9075 -0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2835 1.7883 0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0907 2.1953 -0.8915 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8230 -1.9371 -0.6406 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5114 -1.3980 -0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6409 -1.0399 0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5085 -0.9667 1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3550 -1.8190 -0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8123 -0.9590 -0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4763 2.1014 1.4692 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0597 3.0542 -1.5258 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