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
   -2.1939    1.4292    0.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6307    0.0391    0.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2747    0.0988   -0.0817 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7343   -0.5009    0.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4108   -1.1362    1.6735 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1072   -0.3896    0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0682   -0.9653    0.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3670    0.3861   -1.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3661   -0.6538   -0.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5879    2.1649   -0.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2466    1.4994    0.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2553    1.6663    1.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6768   -0.5698    1.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8200   -1.5131    1.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1084   -0.9185    0.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1636   -0.1113   -1.6525 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4602    0.4586   -1.6651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6505    1.4057   -0.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6906    0.1263   -1.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2614   -1.1733   -0.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7059   -1.3428   -1.4096 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