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
2.4456 -1.4525 0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3437 -0.1021 -0.3693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0298 0.1003 -1.0448 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0670 0.0246 -0.1515 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3632 0.1894 -0.6101 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4839 0.4080 -1.8641 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5280 0.1255 0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4187 -0.0963 1.5186 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8740 0.3161 -0.3519 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6633 0.9826 0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3253 -2.0161 -0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4232 -1.3430 1.3971 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5314 -2.0306 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1339 -0.0687 -1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9374 -0.6785 -1.8381 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0676 1.0899 -1.5598 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4437 -0.2376 1.9671 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2624 -0.1524 2.1931 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8659 0.2009 -1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6207 -0.3679 0.0895 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1517 1.3836 -0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1333 0.6868 1.5826 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3107 1.9721 0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7339 1.0659 0.8332 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