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
-2.6161 -0.7410 0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3381 -0.2749 -0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2711 -1.0509 -0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9343 -0.6558 -0.6278 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9484 -0.0613 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7758 0.1410 1.3247 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2434 0.3673 -0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3157 1.1259 -0.5298 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4845 -0.5275 -0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5393 -1.8480 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7420 -0.2626 1.5927 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3520 -2.0514 0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5152 1.4083 -0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2656 0.2932 -1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0697 -0.3135 -0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3595 1.4004 -0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1016 1.2177 -1.3356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6327 1.8331 0.2692 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