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
    0.8899   -0.0453   -1.3079 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5043    0.3032   -0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8461   -0.2268    0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4886    0.1369    1.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4669   -1.1799   -0.9155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8714    1.1937    0.5693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4018    1.7562    0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5018    0.7932    0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161    0.4409   -0.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0530   -0.4694   -1.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5710   -1.0232    0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0825   -0.6951    1.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    0.2142    1.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4710   -0.2202    1.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0186    0.8346    1.7917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4516   -0.8184   -1.9617 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8547   -2.1256   -0.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4842   -1.4465   -0.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4335    2.4739   -0.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5923    2.3939    1.2924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6296    0.8651   -1.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4224   -0.7120   -2.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3950   -1.7451    0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5284   -1.1633    2.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6709    0.4649    2.4264 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