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
   -4.5666    1.4869   -0.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6481    0.8092   -1.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6478   -0.0460   -0.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8425    0.8387    0.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8452    0.0297    1.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1360   -0.6880    0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0868   -1.4662    1.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1081   -2.2200    0.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9293   -1.4469   -0.4569 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7353   -0.4709    0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6753   -0.3359    1.3380 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6255    0.3815   -0.6938 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3649    1.2909   -0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8652    0.7623    0.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4447    1.9346   -0.8328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0355    2.3217    0.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1239    1.6283   -1.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2079    0.1458   -1.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0067   -0.5237   -1.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2210   -0.7808    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3795    1.6758   -0.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5413    1.2960    1.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4046   -0.6911    1.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2419    0.7175    1.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4505   -1.4330   -0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6570    0.0513   -0.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4443   -2.2458    1.6471 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4776   -0.8401    1.9398 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6539   -2.8984    1.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330   -2.9143   -0.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6831    0.2727   -1.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3451    1.4422    0.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0180    1.9162   -0.6805 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