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
   -5.1670    0.3279    0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3715    0.0555   -1.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9075    0.4300   -0.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2441   -0.3198    0.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8099    0.1112    0.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0589   -0.1495   -0.8672 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3752    0.2519   -0.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0738   -0.5188    0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4170   -0.0532    0.3406 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3802   -0.5299    1.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9923   -1.4242    2.0297 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7568   -0.0506    1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0920    0.8784    0.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1562   -0.5348    0.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2289    0.4992   -0.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8242    1.2658    0.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7980    0.6762   -1.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4499   -0.9988   -1.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7809    1.5191   -0.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4210    0.1451   -1.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7132   -0.1699    1.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2372   -1.4281    0.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8339    1.2109    0.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3459   -0.3325    1.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0993   -1.1932   -1.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5213    0.4591   -1.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3676    1.3601   -0.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9180    0.1677   -1.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6165   -0.4141    1.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0076   -1.5894    0.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4950   -0.4330    1.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3797    1.2869   -0.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0970    1.2748    0.2722 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