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
   -1.2136    1.0510   -0.6904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.0735   -1.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1279   -0.8629   -1.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3411   -0.3794   -1.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9709   -2.2060   -2.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3107   -0.4747   -1.2968 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.2124   -0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5175    0.5427    0.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1652    1.7946    0.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2206    2.1245    2.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6328    1.1844    3.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9918   -0.0739    2.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9297   -0.3849    1.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5102    0.5757   -1.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1757   -0.9693   -1.8480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5965   -2.9047   -1.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9126   -2.5181   -2.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3570   -2.1881   -3.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3285   -0.4621   -1.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6532    1.1181   -1.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8380    2.5603    0.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9473    3.0975    2.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6736    1.4478    4.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3194   -0.8192    3.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   -1.3921    1.1932 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