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
-2.1400 1.0754 0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1259 -0.3020 -0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0306 -0.7556 -1.1789 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2662 -0.7613 -0.7406 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0258 0.3336 -0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5934 1.4986 -0.5861 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4073 0.2255 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9464 -0.9656 0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1985 1.4380 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3696 -1.3393 0.8018 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2054 1.2570 0.5968 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0284 1.8033 -0.5876 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4430 1.2553 1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0778 -0.3980 -0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2776 -1.8167 -1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0367 -0.1932 -2.1758 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3722 -1.8421 -0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9584 -1.0972 0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2882 1.2657 0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9108 1.9150 1.2903 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9620 2.2039 -0.4698 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1837 -2.3267 0.3144 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6054 -1.1909 1.5833 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4053 -1.2828 1.1612 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