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
3.2604 0.3323 0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0034 -0.3975 0.5918 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0699 -1.4615 1.2687 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7743 0.0705 0.1496 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3667 -0.6973 0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6172 -0.1022 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3784 -0.7875 -0.8676 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 1.2726 0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0315 1.4184 0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5834 0.0175 -0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9818 0.1170 1.0889 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2225 -1.7022 0.0513 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4378 -0.7452 1.5933 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2848 -0.3348 -1.2375 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1350 -1.7845 -1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9170 1.6117 -0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1650 1.2179 1.5001 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1747 1.9549 0.1308 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