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
   -1.8759   -1.9898   -1.1562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8821   -0.7616   -0.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0746    0.0595   -0.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1654   -0.4706   -1.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1041    1.4920   -0.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7024   -0.2562   -0.3022 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3990   -1.1166   -0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5830   -0.4358    0.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6046    0.8744    0.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7349    1.4601    1.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8860    0.7018    1.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8789   -0.6317    1.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7266   -1.1842    0.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1553   -1.5120   -1.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0633    0.0742   -1.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1252    1.8629   -0.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8495    1.6066    0.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4744    2.1066   -1.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6343   -1.5427   -1.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1620   -2.0018    0.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7300    1.4874    0.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7788    2.4980    1.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7914    1.1611    1.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7820   -1.2441    1.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7804   -2.2375    0.3043 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