Monomers

Vinyl laurate

Identifiers

IUPAC name
ethenyl dodecanoate
InchI
InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h4H,2-3,5-13H2,1H3
InchI Key
GLVVKKSPKXTQRB-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCC(=O)OC=C
Canonical SMILES
CCCCCCCCCCCC(=O)OC=C
Isomeric SMILES
CCCCCCCCCCCC(=O)OC=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C14H26O2
Heavy Atom Count
16
Molecular Weight
226.36
Exact Molecular Weight
226.1933
Valence Electrons
94
Radical Electrons
0
tPSA
26.3
MolLogP
4.594
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

 42 41  0  0  0  0  0  0  0  0999 V2000
   -4.9063    2.6795   -0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2805    1.3487   -0.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5152    0.7585    0.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9163   -0.5576    0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1200   -1.2237    1.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5669   -2.5243    0.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6911   -2.3208   -0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4922   -1.3935   -0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2718   -1.3099   -1.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4341   -0.4080   -1.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4009   -0.8461   -0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4732    0.1801   -0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0737    0.4089   -1.2216 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8111    0.8762    0.9822 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8186    1.8495    0.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795    3.0878    0.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9713    2.5160    0.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3742    3.1011    0.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9333    3.3643   -0.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1056    0.6956   -0.8706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6228    1.4880   -1.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2061    0.5944    1.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    1.4921    0.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7749   -1.2198   -0.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3676   -0.3371   -0.7325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2644   -0.6081    1.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7931   -1.4183    2.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4258   -3.1618    0.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9705   -3.0622    1.5188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690   -3.2948   -0.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2055   -1.8784   -1.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0947   -1.8255    0.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1171   -0.3788    0.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6439   -0.8716   -2.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6077   -2.3139   -1.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0179   -0.1901   -2.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0972    0.6145   -0.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -0.8971    0.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8102   -1.8630   -0.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8060    1.5720    1.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4916    3.4059    0.4106 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2418    3.8710    0.6599 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  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  3
  1 17  1  0
  1 18  1  0
  1 19  1  0
  2 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  4 24  1  0
  4 25  1  0
  5 26  1  0
  5 27  1  0
  6 28  1  0
  6 29  1  0
  7 30  1  0
  7 31  1  0
  8 32  1  0
  8 33  1  0
  9 34  1  0
  9 35  1  0
 10 36  1  0
 10 37  1  0
 11 38  1  0
 11 39  1  0
 15 40  1  0
 16 41  1  0
 16 42  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers