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
-2.1796 -1.5313 -0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1360 -0.2358 0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1065 -0.1828 1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2103 -0.3384 1.1351 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0224 0.4286 0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5472 1.4508 -0.1562 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4447 0.1509 0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0818 -0.8874 0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2060 1.0858 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2597 0.9324 -0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3325 -2.3416 0.3317 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3105 -1.6801 -1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1001 -1.4988 -1.0368 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1348 -0.2455 0.9373 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3833 -0.9598 2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3409 0.7767 1.9995 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4878 -1.5581 1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1232 -1.0767 0.4574 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5577 1.8036 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8736 1.7120 -0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8645 0.5037 -1.4019 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1059 1.8948 -0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3529 0.9595 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6767 0.8374 -1.5072 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