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
3.3241 0.6642 0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1108 -0.1638 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3082 -1.3263 -0.5961 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8244 0.2929 0.0964 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2384 -0.5684 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5667 -0.0012 0.1426 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6946 1.2250 0.6027 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7758 -0.8383 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1070 1.5287 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0800 -0.0028 0.5387 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6494 1.0166 -0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1272 -1.5696 0.3311 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2279 -0.7883 -1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8317 1.8691 0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6573 1.6790 0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5326 -1.8616 -0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3766 -0.8195 0.8533 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3749 -0.3357 -0.8872 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