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
-2.0828 -1.3758 0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1242 -0.1946 -0.7314 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9430 0.1499 -1.5457 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2479 0.4445 -0.9244 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1122 -0.3051 -0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8259 -1.5141 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3421 0.2690 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6478 1.5362 0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2133 -0.6232 1.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4330 1.0532 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6893 -2.2723 -0.3533 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1605 -1.6477 0.3886 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5551 -1.2630 1.1139 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9836 -0.3489 -1.4479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7920 -0.6478 -2.3672 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1590 1.0606 -2.2097 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5332 1.9771 0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9976 2.1846 -0.3626 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1272 -0.4218 2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2681 -0.3892 0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0434 -1.6854 0.9977 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7746 1.0312 1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4936 1.0262 0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1679 1.9562 -0.4616 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