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
-1.8230 -1.7081 -0.6844 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0963 -0.4311 0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1283 -0.2660 1.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2089 -0.1882 0.9505 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9101 0.7534 0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2464 1.7264 -0.2295 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3610 0.6826 0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9659 1.6193 -0.6165 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1137 -0.4433 0.6236 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3761 0.7024 -0.7917 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3607 -1.4088 -1.6691 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7519 -2.2394 -0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1644 -2.3909 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0974 -0.6608 0.6239 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3798 -1.0941 1.9559 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3926 0.6588 1.8264 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3871 2.4368 -1.0214 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0545 1.5658 -0.7648 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2431 -1.2413 -0.1574 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6060 -0.9298 1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1195 -0.1192 1.0179 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4442 0.5628 -1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7584 0.7713 -1.7127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4430 1.6414 -0.2098 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