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
   -4.6170    0.7855   -0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8684   -0.5123    0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5572   -0.3504    0.7924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6963    0.6116   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3620    0.8166    0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4249   -0.4467    0.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7492   -1.1303   -0.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5678   -0.2950   -1.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8086    0.0999   -0.8929 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8145   -0.7261   -0.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6447   -1.9634   -0.5572 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0488   -0.1369    0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2034    1.1646    0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6173    0.5335   -0.4933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1370    1.4708   -0.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7463    1.3332    0.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5146   -1.2274    0.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6771   -0.9097   -0.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0984   -1.3480    0.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6821    0.0533    1.8113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2214    1.5891    0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6104    0.2853   -1.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1908    1.6222    0.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5827    1.1860    1.7033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1413   -1.1363    1.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3741   -0.1931    1.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1521   -1.4918   -1.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3389   -2.0398   -0.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7608   -0.8558   -2.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0015    0.6285   -1.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8256   -0.8098    0.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1212    1.5726    0.4982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4069    1.8202   -0.2153 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