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
    0.8268   -0.6710    1.4023 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4864   -0.3766    0.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7459    0.3212    0.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1982    0.6426    1.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5278    0.6732   -0.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9395   -0.7505   -0.8424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2861   -1.4294   -0.9894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4440   -0.6804   -0.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0300   -1.0022    0.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1202   -0.2794    1.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6327    0.7866    0.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0548    1.1254   -0.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9712    0.3987   -1.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6366    0.3913    2.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1339    1.1618    1.8064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9605    0.5656   -1.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9366    1.7220   -0.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4067   -0.0300   -0.7242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4666   -1.7167   -2.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1797   -2.3926   -0.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6400   -1.8419    1.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5614   -0.5671    2.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4719    1.3453    0.9304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4364    1.9515   -1.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5039    0.6527   -2.0962 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