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
    2.2889    1.4683    0.9183 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9971    0.4029    0.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1100   -0.4603   -0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8132   -1.5691   -0.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5205   -0.0951    0.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6771    0.0664    0.0474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3034    0.9935    0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6711    0.5515    0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3263   -0.2350    1.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6032   -0.7097    0.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2355   -0.3655   -0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6050    0.4181   -1.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3186    0.8736   -0.9883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5979   -2.2261   -1.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7994   -1.8218   -0.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0343    0.0286   -0.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5095    0.8667    0.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0297   -0.8404    0.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1773    1.0813    1.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0462    1.9671    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8382   -0.5118    2.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1050   -1.3272    1.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2417   -0.7239   -0.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1127    0.6730   -2.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931    1.4948   -1.7213 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