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
   -2.3590   -1.4473   -0.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6568   -0.1148   -0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3039   -0.2078   -0.5895 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6551    0.2600    0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2719    0.7598    1.3755 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0640    0.2003    0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4778   -0.3167   -1.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0413    0.7074    0.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3846    0.7780   -1.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7174   -1.6705   -1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1987   -1.3856    0.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7039   -2.2835    0.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7899    0.3511    0.7305 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7990   -0.7124   -1.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5503   -0.3511   -1.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379    0.4782    2.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1817    1.8038    0.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0304    0.1687    0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9262    1.7938   -1.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4438    0.7837   -0.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2254    0.4051   -2.2949 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