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
-1.5422 1.0144 -0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7203 0.5059 0.9027 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0003 -0.5502 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7808 -0.1056 -0.7612 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6631 0.8399 -0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7374 -1.8099 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4165 -1.6882 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 1.3581 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2189 1.8115 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1467 0.1675 -0.5321 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3193 0.3842 0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3701 1.1556 -1.0485 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1608 1.7038 0.2303 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4595 -2.5378 -0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0064 -2.2493 1.7736 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