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
   -4.3799    0.7240   -0.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7231    0.3200    1.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9016   -0.9054    0.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8126   -0.7270   -0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8523    0.3465    0.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2425    0.5294   -0.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0036   -0.7553   -0.9781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6352   -1.2098    0.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5550   -0.3356    0.8695 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6967    0.0187    0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9090   -0.4501   -0.9674 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6938    0.9303    0.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7664    1.2322    0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6775    1.3017   -0.9095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2328    1.3783   -0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7856   -0.1349   -0.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1054    1.1393    1.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5271    0.0521    1.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138   -1.2766    1.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5507   -1.7428    0.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2413   -0.5055   -1.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3367   -1.7271   -0.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4201    1.2879    0.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4052    0.0628    1.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8916    1.3706   -0.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2379    0.8270   -1.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3781   -1.5864   -1.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -0.5867   -1.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8815   -1.5138    1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2193   -2.1435    0.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5131    1.3312    1.7038 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4946    1.9080    0.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9627    0.8403   -0.9645 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