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
    4.5129    0.3070    0.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0409    0.2623    0.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2588    1.2489    0.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    1.2322    0.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3328    0.2617   -0.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1223   -0.7111   -0.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4796   -0.7194   -0.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0325    0.2638   -0.5785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8256   -0.4364    0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3073   -1.0596    1.2969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2655   -0.4678    0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0122   -1.1333    0.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    0.2650   -1.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6478    0.7321    1.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    0.9848   -0.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.7242    0.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7149    2.0293    1.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3268    2.0273    0.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6530   -1.4854   -1.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1076   -1.4797   -1.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5713   -1.6509    1.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0759   -1.1671    0.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8003    0.7691   -0.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1800    1.0534   -1.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0836   -0.4020   -1.8920 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