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
-3.4219 -0.6697 0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0435 -0.2746 0.6767 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0078 -0.5704 -0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2922 -0.2083 0.0455 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3985 -0.3933 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1823 -0.8966 -1.9050 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7450 -0.0223 -0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7671 -0.2094 -1.1319 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9603 0.5682 1.0041 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0072 1.2078 0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9316 0.1627 -0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0153 -1.0173 1.0703 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3676 -1.5383 -0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7570 -0.8409 1.5828 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0602 -1.6046 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2568 0.0761 -1.2637 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6282 -0.6355 -2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7493 0.0639 -0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3381 -0.2521 1.6549 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7843 1.3357 0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0196 1.0163 1.3869 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9634 1.5329 1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4376 1.7258 0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5949 1.4438 1.9041 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