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
1.9089 0.2776 0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7526 0.7475 -0.0304 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1980 -0.2192 -0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3746 0.2622 -0.8594 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9881 1.1953 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1822 -1.5432 0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3510 -1.4027 -1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7681 -0.2240 1.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4340 -0.3869 -0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5904 1.1419 0.6781 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2938 2.0309 0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9218 1.5470 -0.5142 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2930 0.7003 0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3808 -2.3169 0.9353 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8274 -1.8096 -1.9318 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