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
-3.0640 0.0356 1.2719 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7495 -0.2668 0.5593 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0499 1.0403 0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1798 0.9510 -0.2941 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2672 0.2392 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1246 -0.3705 1.2602 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5407 0.1865 -0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7003 0.8205 -1.7015 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6487 -0.5977 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1067 -0.9563 -0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9072 0.0828 0.5491 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0307 1.0160 1.7842 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2841 -0.7596 1.9882 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1489 -0.9043 1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7308 1.6937 -0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9797 1.5294 1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6358 0.7752 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8954 1.3967 -2.1265 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4006 -1.6773 -0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8069 -0.4126 1.0935 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5998 -0.4084 -0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5423 -1.9484 -0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9533 -0.3857 -1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2527 -1.0793 -1.4101 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