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
-2.3884 1.0379 -0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1110 -0.2889 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9793 -0.2405 1.2731 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2642 0.1244 0.8462 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1436 -0.4102 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7933 -1.4642 -0.6168 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4599 0.1945 -0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2097 -0.4268 -1.2204 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9276 1.4246 0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1736 -1.4671 -0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8735 0.8658 -1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4101 1.5547 -0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0252 1.7047 0.2485 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0388 -0.4253 0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0139 -1.2055 1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2845 0.5130 2.0705 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1739 -0.0164 -1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9099 -1.3339 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3412 1.5442 1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9816 1.4051 0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7652 2.2857 -0.3816 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7062 -2.3375 -0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2670 -1.7517 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6985 -1.2869 -1.5957 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