Monomers

Octyl acrylate

Identifiers

IUPAC name
octyl prop-2-enoate
InchI
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h4H,2-3,5-10H2,1H3
InchI Key
ANISOHQJBAQUQP-UHFFFAOYSA-N
SMILES
CCCCCCCCOC(=O)C=C
Canonical SMILES
CCCCCCCCOC(=O)C=C
Isomeric SMILES
CCCCCCCCOC(=O)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H20O2
Heavy Atom Count
13
Molecular Weight
184.279
Exact Molecular Weight
184.1463
Valence Electrons
76
Radical Electrons
0
tPSA
26.3
MolLogP
3.0761
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 33 32  0  0  0  0  0  0  0  0999 V2000
   -2.5231    2.2178   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5223    1.1419    0.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5007    0.1096   -0.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1346   -0.5360   -0.9454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6893   -1.2263    0.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3409   -1.8616    0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7507   -0.8773   -0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0129   -1.6834   -0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1457   -0.9540   -0.7274 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6698    0.0734    0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353    0.3122    1.1001 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8599    0.7933   -0.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3548    1.7634    0.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6929    2.1260    0.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9932    3.2438    0.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1289    2.1488   -1.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3897    0.7038    1.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5263    1.6088    0.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7236    0.6383   -1.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2673   -0.6688   -0.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2025   -1.2709   -1.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4018    0.2364   -1.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6551   -0.5546    1.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4212   -2.0209    0.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4222   -2.5844   -0.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0461   -2.4928    0.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4554   -0.4564   -1.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8116   -0.1390    0.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -2.2069    0.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8366   -2.4485   -1.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3675    0.5455   -1.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8485    2.0161    1.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2430    2.3027    0.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
  7 27  1  0
  7 28  1  0
  8 29  1  0
  8 30  1  0
 12 31  1  0
 13 32  1  0
 13 33  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers