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
3.2040 0.1836 0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0839 -0.6416 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2256 -1.7957 -0.1687 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8227 -0.1042 0.3232 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3440 -0.7134 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4743 0.2279 0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2819 1.4366 0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8761 -0.1681 -0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8255 0.9486 1.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7026 0.7365 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9383 -0.4272 1.3824 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3088 -1.0549 -1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5482 -1.6324 0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0938 2.1316 0.8065 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2662 1.7061 0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6058 0.5093 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9639 -0.1153 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0396 -1.2275 0.0564 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