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
    1.1296    0.3515    1.3084 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5239   -0.3094    0.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030    0.0034   -0.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1751   -0.7128   -1.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6678    1.1083    0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7147   -1.3443   -0.1223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5089   -1.7099    0.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5351   -0.6620    0.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6863   -0.8624    1.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6752    0.1001    1.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5230    1.2665    0.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3673    1.4472   -0.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3566    0.4926   -0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5537   -1.5161   -1.7395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0989   -0.4952   -1.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3332    0.8189    0.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0588    2.0046    0.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3271    1.4273   -0.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -2.1444    1.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9095   -2.5569   -0.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8431   -1.7756    1.7668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5809   -0.0338    1.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3023    2.0429    0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2177    2.3604   -0.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4798    0.6993   -0.8763 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