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
-2.3761 0.1773 1.2555 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6488 -0.2554 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2586 -0.1587 0.1254 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5397 0.6781 -0.6534 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0243 1.3748 -1.5021 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9785 0.6792 -0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7754 1.4519 -1.1297 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5927 -0.1849 0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0298 -1.6368 -0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7706 -0.0504 2.1766 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3776 -0.2989 1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5597 1.2716 1.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9757 0.4405 -0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8459 1.4714 -0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3448 2.0916 -1.8948 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5280 0.3799 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9919 -1.1025 0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6560 -0.3840 0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8038 -1.7040 -1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0932 -1.8633 -0.2221 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3348 -2.3774 0.0376 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