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
   -2.2867   -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