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
-2.2867 -1.2507 0.7724 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6392 0.0166 0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3080 -0.1982 -0.1459 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7059 0.5321 0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4176 1.3683 1.3567 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1011 0.3682 0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0373 1.0816 0.6958 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5073 -0.5928 -0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4392 0.4865 -0.9356 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5330 -1.9508 1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8813 -1.7593 -0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9972 -0.9656 1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6678 0.7761 1.0425 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8023 1.8126 1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0873 0.9893 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5012 -1.0040 -0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8215 -1.4678 -0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6442 -0.1110 -1.9348 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5992 1.5835 -0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8631 0.3218 -1.8709 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4109 -0.0365 -0.9982 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