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
   -4.3206    0.3919    0.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8657   -0.0555   -0.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5919    0.6051   -1.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4432    0.3113   -0.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1548   -1.1357   -0.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1519   -1.6126    0.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2486   -1.1433    0.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5264    0.2609    0.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9101    0.5923    0.9361 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6971    0.5288   -0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1855    0.1501   -1.2618 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1097    0.8991   -0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6312    1.2944    1.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5740    0.1910    1.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2867   -0.0523    0.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4816    1.4961    0.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6955    0.2578   -1.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7666   -1.1479   -1.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2521    0.1956   -2.3349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7351    1.6853   -1.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5671    0.7976   -0.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6209    0.8583    0.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1494   -1.6375   -0.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9863   -1.5802   -1.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1920   -2.7530    0.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5688   -1.3562    1.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8401   -1.8668    1.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6311   -1.3193   -0.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987    1.0289    0.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3161    0.3402    2.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7188    0.8454   -0.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6590    1.5726    1.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0320    1.3576    1.9674 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