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
   -0.6814    1.5113    0.5494 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4360    0.6758   -0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8085    0.4540    0.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138    1.1712    1.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7229   -0.5070   -0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8979   -0.0160   -1.0810 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3791    0.1074   -1.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4905   -0.1872   -0.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9112   -1.4561   -0.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9643   -1.6449    0.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336   -0.5842    1.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.6779    0.7443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1546    0.8724   -0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5810    1.8902    1.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2172    1.0638    1.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5627   -0.4959   -1.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6462   -1.5288    0.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7617   -0.1518   -0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5804    1.0792   -2.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4593   -0.6481   -2.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3981   -2.3000   -0.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2871   -2.6701    0.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4705   -0.7404    1.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7180    1.5227    1.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8826    1.9047   -0.3142 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