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
2.3481 0.0716 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4053 -0.6063 -0.6927 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1046 -0.3407 -0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8566 -1.0041 -1.0356 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1498 -0.7208 -0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2107 1.1266 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1914 0.2524 0.9934 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3565 -0.1899 -0.3077 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2476 -0.3139 1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1799 1.1722 0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3012 -1.0192 0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8885 -1.1724 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3419 0.3855 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3669 2.1295 -0.4467 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3349 0.2297 2.0617 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