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
2.9510 0.6730 0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6551 -0.0406 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1855 -0.5131 1.3366 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9354 -0.2229 -0.8813 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2944 -0.8972 -0.9787 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3600 -0.3029 -0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9320 -1.0432 0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8515 1.0925 -0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8836 1.6341 0.8703 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6556 0.0376 0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4058 0.8376 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2482 -1.9706 -0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6141 -0.7877 -2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7164 -0.6649 1.4038 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6314 -2.0699 0.9586 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8223 1.0294 -0.8664 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0811 1.4768 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1207 1.7319 -0.8609 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