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
-1.9348 -0.9472 -1.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9158 0.4392 -0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9525 0.7284 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3959 0.5900 0.4132 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1938 -0.4733 0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6511 -1.6032 0.1404 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6529 -0.3595 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3422 -1.4407 -0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3382 0.9422 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3337 0.6959 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9491 -1.1093 -1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9666 -1.7098 -0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1348 -1.1585 -1.7572 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8137 1.1407 -1.3306 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0959 1.8154 0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2956 0.1741 1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4104 -1.4476 -0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8383 -2.3921 -0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6811 1.0922 1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1841 1.0164 -0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5974 1.7773 -0.1569 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2863 0.3906 1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0593 0.0541 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5472 1.7847 0.0015 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