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
   -4.0501   -2.4113    1.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2824   -1.1188    1.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3167   -0.6945   -0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5737    0.5833   -0.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1055    0.4819    0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4265   -0.5859   -0.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0349   -0.7665   -0.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690    0.4945   -0.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1688    0.3793   -0.4113 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0339    1.4479   -0.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5059    2.5062   -1.0433 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3614   -0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2004    2.4337   -0.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3483   -3.2689    1.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8360   -2.4627    0.7956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5466   -2.4565    2.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2520   -1.3156    1.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7109   -0.3346    2.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9885   -1.5252   -0.6851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4068   -0.5537   -0.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0698    1.3952    0.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6044    0.8749   -1.3567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6569    1.4830   -0.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0751    0.2485    1.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5606   -0.3105   -1.7889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9640   -1.5515   -0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4867   -1.5761   -1.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1041   -1.0805    0.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6751    0.7299   -1.7532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    1.3155   -0.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9404    0.4790    0.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    2.4349   -0.4042 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7859    3.3636   -0.9482 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