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
   -4.9103    0.2035   -0.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4961   -0.1901    0.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0907   -0.7977    0.7023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2121    0.2953    0.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7776   -0.1653   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0012    0.9821   -0.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4535    0.7016   -0.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1496    0.3395    0.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.0750    0.2532 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0309   -0.9023   -0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2348   -1.6403   -1.1802 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -1.0496   -0.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2976   -0.2580    0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3966   -0.4048   -1.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441    1.2742   -0.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0056    0.0820   -0.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2033   -0.8776    1.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3807    0.7364    1.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7996   -1.0280    1.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1698   -1.6777    0.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5945    0.6173   -0.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2831    1.1623    0.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3558   -0.5778    0.8795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7797   -0.9753   -0.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4898    1.3451   -1.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0970    1.8276    0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9157    1.6825   -1.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6489    0.0073   -1.6534 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1151    1.2741    1.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6634   -0.4465    1.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9239   -1.8087   -1.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8972    0.5304    0.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3555   -0.3363   -0.0466 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