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
-1.8928 0.8317 1.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8363 -0.3310 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9744 0.0828 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3445 0.4180 -0.7493 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1940 -0.4804 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7215 -1.6401 0.0843 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5548 -0.1669 0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3010 -1.0801 0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1113 1.1789 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2423 -0.5604 -0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7369 0.7089 1.7342 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9901 1.7726 0.4224 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9125 0.8219 1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5434 -1.2682 0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9294 -0.8072 -1.8116 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4791 0.8697 -1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9219 -2.0884 1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3215 -0.9127 1.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5765 1.1467 -1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3069 1.9510 0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9363 1.4338 0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9760 -0.3227 0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3767 0.0740 -1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4003 -1.6319 -0.7642 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