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
   -2.3459    0.8378   -1.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6746    0.1691   -0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3151   -0.0526   -0.1749 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6856    0.4242    0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3488    1.1452    1.6072 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0979    0.1620    0.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0186    0.6536    1.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372   -0.6816   -0.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3439   -1.1587    0.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3064    1.9291   -1.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4359    0.5657   -1.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9851    0.5080   -2.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8165    0.8189    0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0758    0.4787    1.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7257    1.2687    2.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6211   -0.4730   -0.9459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9658   -0.4101   -1.6164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4970   -1.7639   -0.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4871   -1.7006   -0.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2703   -0.9766    0.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5930   -1.7440    0.9036 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