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
3.0056 0.1476 -1.0419 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6477 -0.2972 -0.5857 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9022 -0.9446 -1.3735 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1691 -0.0255 0.6787 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0844 -0.4162 1.1293 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2425 0.1676 0.4194 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2179 1.0098 -0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5989 -0.2785 0.9229 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3500 1.0484 -0.5228 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7115 -0.6691 -0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0058 0.3405 -2.1442 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2276 -0.2386 2.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1660 -1.5335 0.9785 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3251 1.4227 -1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1525 1.3557 -1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9686 -1.1324 0.3496 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2597 0.6170 0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5488 -0.5738 1.9902 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