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
2.8839 -0.6724 0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5770 -0.0088 0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0393 0.0912 1.4975 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9233 0.5326 -0.7117 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3113 1.1683 -0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3493 0.2936 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9065 0.5998 1.1825 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7549 -0.9193 -0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1294 -1.4151 0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7128 0.0778 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8951 -1.1883 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1652 2.1015 0.0906 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7077 1.5532 -1.5017 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6066 1.5053 1.7275 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6786 0.0092 1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8927 -1.5164 -1.0616 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3453 -1.5982 -0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4427 -0.6139 -1.5233 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