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
-3.3858 0.7102 0.5298 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9568 0.2462 0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0503 0.7231 -0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2399 0.2462 -0.1067 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3534 0.4472 -0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2343 1.1279 -1.9205 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6219 -0.1157 -0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6822 -0.8169 0.6842 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8541 0.0749 -1.2139 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9901 -1.2615 0.8354 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0729 -0.1456 0.3132 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7955 1.2190 1.4085 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3923 1.3319 -0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6240 0.6878 1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4349 0.4539 -1.3752 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0157 1.8265 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7750 -0.9757 1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5831 -1.2633 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5815 0.5413 -2.1817 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5462 0.7292 -0.6494 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3212 -0.9226 -1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1810 -1.4931 1.9235 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0297 -1.7260 0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8639 -1.6449 0.2903 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