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
   -2.1187    2.1713    0.3086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0345    0.9177    0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2231    0.0823    0.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3961    0.6869    0.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1222   -1.4125    0.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7525    0.3941    0.2748 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3992    1.2080    0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6398    0.4077    0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533   -0.9656    0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8493   -1.6503    0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0304   -0.9760   -0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0503    0.4020   -0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8418    1.0616   -0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3168    0.1267    0.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4802    1.7611    0.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0509   -1.6611    0.6234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6498   -1.8049    1.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5963   -1.7922   -0.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4519    1.8837    1.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3674    1.8292   -0.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7146   -1.5318    0.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8848   -2.7426    0.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0003   -1.4867   -0.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9851    0.9455   -0.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8729    2.1460   -0.0946 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