Monomers
Isobutyl methacrylate
Identifiers
IUPAC name
2-methylpropyl 2-methylprop-2-enoate
InchI
InChI=1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3
InchI Key
RUMACXVDVNRZJZ-UHFFFAOYSA-N
SMILES
CC(COC(=O)C(=C)C)C
Canonical SMILES
CC(C)COC(=O)C(=C)C
Isomeric SMILES
CC(C)COC(=O)C(=C)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
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
24 23 0 0 0 0 0 0 0 0999 V2000
-2.1105 -0.4269 1.4531 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1384 -0.4992 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0326 0.3949 -0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1890 -0.1002 -0.0512 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4155 0.5181 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3572 1.5192 -1.0916 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6689 0.0201 0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7094 -1.0354 0.9608 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9182 0.7189 -0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4470 -0.0499 -0.6185 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0302 -0.8547 1.9136 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9668 0.6334 1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2563 -0.9949 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8858 -1.5291 -0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9606 0.2904 -1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2073 1.4490 -0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6396 -1.4157 1.3602 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8159 -1.5791 1.2456 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8239 0.1058 -0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8754 0.9706 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9596 1.6747 0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3017 0.8291 -1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1389 0.2712 0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8966 -0.9104 -1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 2 3
7 9 1 0
2 10 1 0
1 11 1 0
1 12 1 0
1 13 1 0
2 14 1 0
3 15 1 0
3 16 1 0
8 17 1 0
8 18 1 0
9 19 1 0
9 20 1 0
9 21 1 0
10 22 1 0
10 23 1 0
10 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers