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
-2.3369 -2.6110 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8650 -1.1732 -0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3519 -1.1186 -0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1465 0.1791 -0.4636 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4934 0.3994 -0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2708 -0.6090 -0.3461 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0966 1.7230 -0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3313 2.7870 -0.5984 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5642 1.9250 -0.4726 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4988 -0.4237 0.6928 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0939 -3.0860 0.5941 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8378 -3.1418 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4421 -2.6103 -0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1953 -0.7411 -1.4038 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0475 -1.6041 0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0947 -1.7420 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7326 3.7696 -0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2636 2.6590 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1354 0.9975 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8501 2.6057 -1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8084 2.4863 0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7951 -0.1985 1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9833 0.5188 0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3397 -0.9910 1.1611 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