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
   -1.1476    1.1752   -0.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5578    0.0063   -0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7744   -0.4863    0.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1890   -1.7096    0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5274    0.4146    1.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7960   -0.7781   -1.0966 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3763   -0.3731   -1.7285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4629    0.0095   -0.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4090   -0.2408    0.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4499    0.1428    1.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5753    0.7830    0.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6365    1.0373   -0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5934    0.6509   -1.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0936   -2.0614    0.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6768   -2.4053   -0.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2486    1.4633    1.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6302    0.3521    1.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3137    0.1286    2.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2274    0.4564   -2.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7349   -1.2370   -2.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5315   -0.7468    0.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3914   -0.0611    2.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3893    1.0812    1.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5280    1.5439   -0.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6494    0.8544   -2.3171 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