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
-2.0843 -0.6746 -0.8542 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8192 -0.1268 0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9874 1.1377 0.4711 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2573 0.9577 -0.1245 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2319 0.1071 0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9658 -0.5738 1.3623 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5314 -0.0586 -0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7703 0.6562 -1.4061 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5233 -0.9989 0.2087 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1318 0.2267 1.1949 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0010 -0.2445 -1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2379 -0.3002 -1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0807 -1.7928 -0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3337 -0.9316 1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9630 1.6489 1.4543 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5667 1.8405 -0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0569 1.3558 -1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7246 0.5418 -1.8929 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5234 -0.4981 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2885 -1.3388 1.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6680 -1.8577 -0.4969 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3043 1.3170 1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0703 -0.0401 2.2768 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9611 -0.3528 0.7368 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