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
   -4.9060   -1.6048    1.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7001   -0.9829    1.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2107   -0.1323   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000    0.5240   -0.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3123    1.4162    0.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1946    2.1189   -0.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2602    1.1145   -1.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3519    0.2279   -0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2769   -0.7514   -0.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3586   -0.0284   -1.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1634    0.8022   -0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7574   -0.1080    0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1363   -0.5275    1.4085 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0699   -0.5337    0.2570 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6780   -1.3712    1.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3283   -0.8671    2.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7946   -0.9830    1.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0092   -2.6304    1.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7611   -1.6471    2.9096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0729   -0.4234    1.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0460   -1.7801    0.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8377    0.6819    0.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9073   -0.6958   -0.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4948    1.0530   -1.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4341   -0.2914   -1.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8636    0.9202    1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9846    2.2409    0.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5989    2.7545   -1.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6790    2.7608    0.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5309    1.6849   -1.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7871    0.5339   -1.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4352   -0.3254    0.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138    0.8099    0.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6754   -1.5075   -0.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6779   -1.3229   -1.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9910    0.5317   -2.4493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0950   -0.7741   -2.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5528    1.6124   -0.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0201    1.2795   -1.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6137   -2.4382    0.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3836    0.2013    2.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8152   -1.5423    2.8894 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