Monomers
2-Methylallyl acetate
Identifiers
IUPAC name
2-methylprop-2-enyl acetate
InchI
InChI=1S/C6H10O2/c1-5(2)4-8-6(3)7/h1,4H2,2-3H3
InchI Key
IVKYUXHYUAMPMT-UHFFFAOYSA-N
SMILES
CC(=O)OCC(=C)C
Canonical SMILES
CC(=C)COC(=O)C
Isomeric SMILES
CC(=C)COC(=O)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
1.1256
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
3.1212 -0.8975 0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0626 -0.0749 -0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3842 0.7324 -1.3843 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7485 -0.1634 -0.0585 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2245 0.6454 -0.6918 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5784 0.4238 -0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2205 1.4334 0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1783 -0.9224 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6380 -1.6459 0.8231 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7568 -1.3847 -0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8264 -0.2978 0.7845 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0862 1.7034 -0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2806 0.4485 -1.7888 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7947 2.4285 0.4672 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2161 1.3138 0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4242 -1.7093 -0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7459 -1.1291 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9607 -0.9042 -1.0363 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 2 3
6 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
5 12 1 0
5 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