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
   -2.3254   -1.2193    0.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7066    0.0806   -0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3557    0.0346    0.1961 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7255    0.0248   -0.6317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4964    0.0601   -1.8734 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0592   -0.0242   -0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1966   -0.0587    1.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2587   -0.0359   -0.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4526    1.2575    0.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3304   -1.1703    1.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3197   -1.4034   -0.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -2.0332   -0.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7877    0.1089   -1.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3741   -0.0525    1.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1873   -0.0951    1.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9438   -0.4634   -1.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0066   -0.6990   -0.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7108    0.9667   -1.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0199    0.9782    1.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8134    2.1147    0.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2269    1.6291   -0.3934 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