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
    0.9196   -0.8245   -0.9565 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4910   -0.5435    0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8471   -0.0422    0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4424    0.1053   -1.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6231    0.3231    1.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7623   -0.7415    1.2757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5370   -1.2169    1.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5778   -0.4154    0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0547   -0.7825   -0.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0164   -0.0708   -1.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5451    1.0627   -0.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0594    1.4250    0.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931    0.7152    1.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -0.1460   -1.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4567    0.4769   -1.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9705    0.6937    2.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1137   -0.5979    1.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4350    1.0367    1.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7926   -1.2094    2.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6587   -2.2728    1.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6832   -1.6685   -1.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3893   -0.3683   -2.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3149    1.6578   -1.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4885    2.3345    1.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7684    1.0695    2.2698 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