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
-3.2414 0.4178 0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8436 0.1500 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9284 0.0408 0.8989 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4119 -0.2080 0.5639 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1832 0.6304 -0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6024 1.6656 -0.6289 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5733 0.3696 -0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2026 1.2414 -1.3139 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2822 -0.8493 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9333 -1.1824 -1.0289 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1860 1.0912 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7035 -0.5236 0.6262 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8860 0.9218 -0.4866 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6136 0.9868 -0.9543 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2845 -0.8198 1.5066 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0669 0.9460 1.5175 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6953 2.1228 -1.6593 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2314 1.0572 -1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2812 -0.5559 0.2426 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4185 -1.5855 -0.9156 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7670 -1.3398 0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8179 -1.7786 -0.6694 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0923 -0.9744 -2.1049 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0517 -1.8240 -0.8306 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