Monomers

Benzyl methacrylate

Identifiers

IUPAC name
benzyl 2-methylprop-2-enoate
InchI
InChI=1S/C11H12O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InchI Key
AOJOEFVRHOZDFN-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)OCc1ccccc1
Canonical SMILES
CC(=C)C(=O)OCC1=CC=CC=C1
Isomeric SMILES
CC(=C)C(=O)OCC1=CC=CC=C1
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
2.3059
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
   -0.6735    0.1600   -1.4380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3598    0.6798   -0.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7743    0.3714   -0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4738    0.9165    0.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450   -0.5624   -1.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6774    1.5450    0.3451 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6959    1.8520    0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5622    0.6552    0.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1130   -0.5629    0.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9729   -1.6354    0.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3013   -1.5665    0.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7599   -0.3376    0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8932    0.7329   -0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0036    1.5887    1.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5132    0.6998    0.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7444   -0.9444   -2.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2711   -0.0471   -1.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9376   -1.3605   -0.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8940    2.4085   -0.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9766    2.5533    1.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0570   -0.6472    1.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5998   -2.5809    1.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9674   -2.4173    0.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8102   -0.2613   -0.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2703    1.6815   -0.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  5 18  1  0
  7 19  1  0
  7 20  1  0
  9 21  1  0
 10 22  1  0
 11 23  1  0
 12 24  1  0
 13 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers