Monomers
Isopropyl methacrylate
Identifiers
IUPAC name
propan-2-yl 2-methylprop-2-enoate
InchI
InChI=1S/C7H12O2/c1-5(2)7(8)9-6(3)4/h6H,1H2,2-4H3
InchI Key
BOQSSGDQNWEFSX-UHFFFAOYSA-N
SMILES
CC(OC(=O)C(=C)C)C
Canonical SMILES
CC(C)OC(=O)C(=C)C
Isomeric SMILES
CC(C)OC(=O)C(=C)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H12O2
Heavy Atom Count
9
Molecular Weight
128.171
Exact Molecular Weight
128.0837
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.5141
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
21 20 0 0 0 0 0 0 0 0999 V2000
-2.7027 -0.5041 0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6257 -0.1764 -0.6412 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4245 0.2398 -0.0309 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7925 -0.4229 -0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7191 -1.4097 -1.0243 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0312 -0.0049 0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1342 1.0233 1.1897 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2751 -0.7599 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1204 0.9823 -1.4846 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4631 -1.4121 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6440 -0.6578 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8734 0.3830 1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5052 -1.0555 -1.2886 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0617 1.3306 1.6501 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2007 1.5642 1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3916 -1.6564 0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1781 -0.1129 0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2112 -1.0596 -0.9929 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2165 1.4791 -1.8947 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7599 1.6683 -0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6602 0.5615 -2.3575 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 2 0
4 6 1 0
6 7 2 3
6 8 1 0
2 9 1 0
1 10 1 0
1 11 1 0
1 12 1 0
2 13 1 0
7 14 1 0
7 15 1 0
8 16 1 0
8 17 1 0
8 18 1 0
9 19 1 0
9 20 1 0
9 21 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers