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
    0.8436    1.2918    0.0548 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4801    0.2363    0.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7309    0.0265   -0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4161   -1.0819   -0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2271    1.0583   -1.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9644   -0.6717    1.1688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2405   -0.4115    1.8223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4035   -0.2358    0.8988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9468    1.0165    0.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0152    1.1749   -0.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5205    0.0890   -0.7928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0148   -1.1863   -0.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9428   -1.3034    0.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0488   -1.8190    0.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3390   -1.2115   -0.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5640    1.0452   -2.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1123    2.0712   -0.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2951    0.8808   -1.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4868   -1.3369    2.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1805    0.4027    2.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5297    1.8826    1.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4292    2.1853   -0.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3686    0.2311   -1.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4311   -2.0326   -1.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114   -2.3015    0.3546 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