Monomers

p-Tolyl methacrylate

Identifiers

IUPAC name
(4-methylphenyl) 2-methylprop-2-enoate
InchI
InChI=1S/C11H12O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3
InchI Key
AOUAMFARIYTDLK-UHFFFAOYSA-N
SMILES
Cc1ccc(cc1)OC(=O)C(=C)C
Canonical SMILES
CC1=CC=C(C=C1)OC(=O)C(=C)C
Isomeric SMILES
CC1=CC=C(C=C1)OC(=O)C(=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H12O2
Heavy Atom Count
13
Molecular Weight
176.215
Exact Molecular Weight
176.0837
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.4765
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 25 25  0  0  0  0  0  0  0  0999 V2000
    4.5815    0.1356   -0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1050   -0.0933   -0.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4556   -0.9025    0.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0954   -1.1209    0.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660   -0.5351   -0.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.2639   -1.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3588    0.4756   -1.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9978   -0.7233   -0.5965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8279    0.1685    0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2938    1.0850    0.7157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2764    0.0967    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8414   -0.8642   -0.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1173    1.0661    0.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9384   -0.2864    0.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7554    1.2348   -0.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1149   -0.2926   -1.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9833   -1.3766    1.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5368   -1.7385    1.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4245    0.7222   -2.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8682    1.1059   -1.9984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9280   -0.9566   -0.7623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2274   -1.5738   -1.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0588    0.6300    1.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5579    1.6137    1.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4571    1.8657   -0.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  3
 11 13  1  0
  7  2  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
  7 20  1  0
 12 21  1  0
 12 22  1  0
 13 23  1  0
 13 24  1  0
 13 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers