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
1.2946 0.8161 -1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1859 -0.0243 -1.0696 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1545 -0.6059 0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0508 0.3860 1.2154 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1359 1.0754 0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5213 -1.9327 0.4691 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8969 -1.6553 0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2492 1.6264 -0.3622 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1735 0.1813 -0.8419 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4533 1.2157 -2.1355 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9810 0.3680 1.0209 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2299 1.8920 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1624 1.5691 -0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1813 -2.7718 0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8584 -2.1402 0.3416 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