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
    4.0255    1.9985   -0.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6903    1.3859   -0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9300    0.1293    0.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6455   -0.5562    0.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8242   -0.9669   -0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4242   -1.6360    0.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3296   -2.0964   -0.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7650   -0.9296   -1.7093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4550   -0.0056   -0.9116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6148   -0.2362   -0.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1337   -1.3650   -0.2745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2663    0.7983    0.6004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7381    2.0009    0.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750    1.3310   -0.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1398    3.0196   -0.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1771    2.1272   -1.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1007    2.1352    0.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1611    1.1834   -1.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6259   -0.5231    0.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4246    0.4419    1.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0520    0.0872    1.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9149   -1.4769    1.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3630   -1.5702   -0.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5084   -0.0102   -0.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0076   -0.9690    0.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1825   -2.5355    0.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2149   -2.6309   -0.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8025   -2.8524   -1.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8739   -0.4441   -2.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4295   -1.3624   -2.5058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1848    0.5453    1.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8335    2.2186    0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2021    2.7644    1.2711 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