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
-2.1223 1.2605 -0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1386 0.0847 0.5655 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9784 -0.1831 1.4315 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2624 -0.4142 0.9053 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1168 0.3400 0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7656 1.5072 -0.1018 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4337 -0.1252 -0.3025 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8682 -1.3425 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3081 0.7737 -1.0958 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5417 -1.1994 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8148 2.1986 0.1235 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6020 1.0180 -1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1973 1.4737 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0113 0.2463 1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9809 0.6406 2.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2449 -1.1235 2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8260 -1.6753 -0.3965 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2704 -2.0521 0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3596 0.7285 -0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2240 0.4718 -2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9818 1.8264 -1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7888 -1.9707 0.5838 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6200 -1.5161 -0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3757 -0.9679 -0.8344 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