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
Resources
cid=

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
   -2.5063    0.7664   -0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6176   -0.4371    0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2919   -0.0703   -0.1062 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7326   -0.0622    0.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828   -0.4057    1.9817 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0533    0.3437    0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0346    0.3426    1.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3808    0.7559   -0.9958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0531   -1.5538   -0.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2257    0.5699   -0.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1303    0.9994    0.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552    1.6745   -0.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7317   -0.7261    1.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8613    0.0518    2.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417    0.6360    1.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3777    0.3757   -1.3008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6239    0.3424   -1.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4500    1.8670   -1.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1663   -1.5930   -0.7681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6635   -1.3563   -1.7763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6969   -2.5209   -0.3678 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