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
   -4.5346    0.1843   -0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0461    0.2553   -0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2976    1.0962    0.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9258    1.1232    0.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414    0.3075   -0.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0569   -0.5436   -1.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4306   -0.5528   -1.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0377    0.3491   -0.5514 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057   -0.5111    0.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3008   -1.3308    1.0179 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2400   -0.4673    0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0086   -1.2643    0.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8535    0.4890   -0.8646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9376    0.8356   -0.8264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8073    0.6621    0.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8475   -0.8656   -0.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8176    1.7092    1.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3127    1.7799    1.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5780   -1.1766   -1.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0441   -1.2009   -1.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0787   -1.2118    0.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336   -1.9904    1.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5649    1.5531   -0.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9480    0.4609   -0.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5063    0.3098   -1.9211 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