Monomers
1,1-Dimethyl-2-acetoxyethylene
Identifiers
IUPAC name
2-methylprop-1-enyl acetate
InchI
InChI=1S/C6H10O2/c1-5(2)4-8-6(3)7/h4H,1-3H3
InchI Key
MNJRLZXXSZEIHD-UHFFFAOYSA-N
SMILES
CC(=COC(=O)C)C
Canonical SMILES
CC(=COC(=O)C)C
Isomeric SMILES
CC(=COC(=O)C)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.4732
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
18 17 0 0 0 0 0 0 0 0999 V2000
-2.6939 0.7267 -0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3630 0.1004 -0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3037 0.6333 -0.8614 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9513 0.0559 -0.8150 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8822 0.3289 0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5508 1.1469 1.0719 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2292 -0.2901 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1528 -1.1890 0.4648 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3753 0.2780 0.3965 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5682 1.8061 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1440 0.7138 -1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4445 1.5562 -1.3932 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0197 0.4287 -0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4340 -0.5842 1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3355 -1.1815 -0.3871 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3152 -2.0337 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1306 -1.2689 0.8653 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9115 -1.2276 1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
2 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
3 12 1 0
7 13 1 0
7 14 1 0
7 15 1 0
8 16 1 0
8 17 1 0
8 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers