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
-2.8112 -0.4291 0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4322 0.1135 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3583 -0.6254 0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8754 -0.0381 0.0835 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0493 -0.7589 0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9216 -1.9487 0.6143 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3963 -0.1750 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2877 1.5306 -0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7973 -1.4745 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2895 0.2520 1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3694 -0.2503 -0.6303 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4982 -1.6516 0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3617 0.9336 0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1542 -0.5468 0.7419 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7147 -0.4885 -0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5244 1.9768 0.3908 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8646 1.5062 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2404 2.0740 -0.2624 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