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
-2.1897 -0.6145 -1.7694 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3076 0.0034 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2170 0.9847 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0729 0.3812 -0.1323 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2284 1.0765 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1300 2.2968 0.4075 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5657 0.4492 0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6286 1.1714 0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7026 -1.0012 -0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3657 -1.0642 0.6489 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0160 0.1421 -2.5498 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1804 -1.0832 -2.0127 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4605 -1.4499 -1.7954 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2699 0.5508 -0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4264 1.3999 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1878 1.8409 -0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5457 2.2120 0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5965 0.7163 0.3183 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9622 -1.2833 -1.0456 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5505 -1.6405 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6974 -1.2162 -0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6396 -1.8832 0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3935 -1.4190 0.8019 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0265 -0.5700 1.6033 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