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
   -1.5638    1.3014    2.3302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7440    0.7456    1.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0942    0.5920    0.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1629    1.0270    1.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2257   -0.0729   -0.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6193    0.2843    0.5527 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6905    0.4289    1.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7214   -0.1323    0.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0964   -1.4345    0.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0758   -1.9185   -0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341   -1.0751   -1.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2634    0.2416   -1.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2892    0.7108   -0.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1479    1.5205    2.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1209    0.8877    0.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4187   -1.1716   -0.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0748    0.3175   -1.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3061    0.1301   -1.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7554   -0.0325    2.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8478    1.5169    1.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6195   -2.0446    1.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3706   -2.9578   -0.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3888   -1.4762   -2.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7309    0.8626   -2.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9946    1.7490   -0.8277 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