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
-1.8978 0.7604 1.0173 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7863 -0.4563 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9721 -0.1238 -1.0976 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3045 0.2815 -0.7222 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2019 -0.5045 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8569 -1.6671 0.2814 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5157 0.0074 0.3191 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3695 -0.7424 0.9758 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9506 1.3780 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1870 -0.7970 -0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7957 1.3338 0.7274 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9613 1.3583 0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9017 0.4956 2.0949 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3681 -1.2768 0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8750 -1.0337 -1.7429 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4800 0.6689 -1.6748 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0437 -1.7590 1.2404 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3533 -0.3881 1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4834 1.7877 0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6468 1.2658 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1022 2.0460 -0.2823 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2971 -1.8478 -0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3958 -0.1775 -1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9106 -0.6095 0.4643 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