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
-2.0728 1.2828 0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1768 -0.1637 0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0952 -1.0388 0.7005 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2038 -0.8383 0.3248 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1045 0.1520 0.5565 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7343 1.1153 1.2705 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4754 0.1179 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2706 1.1237 0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9897 -0.9704 -0.8457 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4333 -0.3212 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1009 1.7318 0.3878 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4141 1.8878 -0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8693 1.4231 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1293 -0.5301 0.7245 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3374 -2.1216 0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1911 -1.1077 1.8388 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9542 1.9556 0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2935 1.1688 -0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9590 -1.3848 -0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1715 -0.6678 -1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2576 -1.8246 -0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4934 -0.0376 -1.4457 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2947 -1.3593 -1.5974 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8059 0.4068 -1.8440 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