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
   -2.0567    0.0327    2.2725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9578    0.0503    1.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2073    0.0725    0.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3870    0.0746    0.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1328    0.0937   -1.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7381    0.0492    0.3606 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4255    0.0271    1.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625    0.0280    0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1844   -1.2005    0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3414   -1.3108   -0.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9999   -0.1525   -1.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4751    1.0766   -0.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3189    1.1736   -0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2828    0.0911    0.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4572    0.0595    1.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1573   -0.3336   -1.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9982   -0.4744   -1.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1400    1.1536   -1.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3947   -0.8879    1.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4028    0.8900    1.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7126   -2.1451    0.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7566   -2.2834   -1.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9133   -0.1785   -1.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9952    1.9699   -1.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9323    2.1243    0.2331 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