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
    2.0100   -0.8890    2.1918 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9627   -0.5632    0.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1725   -0.5530    0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3289   -0.8859    0.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1115   -0.1694   -1.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7168   -0.2219    0.4763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4510   -0.2377    1.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6516    0.1676    0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4292   -0.7666   -0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5468   -0.4008   -0.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9447    0.9163   -0.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1782    1.8497   -0.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0601    1.4836    0.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4603   -1.1769    1.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2071   -0.8729    0.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0896    0.1656   -1.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7247   -1.0199   -1.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3366    0.6388   -1.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5627   -1.2679    1.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2504    0.4282    2.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1085   -1.8118   -0.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1420   -1.1424   -1.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8229    1.2178   -1.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5065    2.8901   -0.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4660    2.2216    0.9440 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