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
    2.3401   -1.5196    0.7427 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0211   -0.4541    0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0613    0.4163   -0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7342    1.5167   -0.9367 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    0.0499   -0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6679   -0.1440    0.0022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3080   -1.0600    0.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6489   -0.5008    0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8197    0.6976   -0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0794    1.1956   -0.6955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1956    0.4657   -0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0168   -0.7309    0.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7491   -1.2226    0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7094    1.7898   -1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4996    2.1688   -1.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1426    0.9128   -0.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7506   -0.7969   -0.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6582   -0.2259    0.9304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1508   -1.2215    1.5977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1524   -2.0480    0.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828    1.2738   -0.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2485    2.1233   -1.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1990    0.8245   -0.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8582   -1.3371    0.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6508   -2.1734    1.1580 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