Monomers

Vinyl 2-ethylhexanoate

Identifiers

IUPAC name
ethenyl 2-ethylhexanoate
InchI
InChI=1S/C10H18O2/c1-4-7-8-9(5-2)10(11)12-6-3/h6,9H,3-5,7-8H2,1-2H3
InchI Key
IGBZOHMCHDADGY-UHFFFAOYSA-N
SMILES
CCCCC(C(=O)OC=C)CC
Canonical SMILES
CCCCC(CC)C(=O)OC=C
Isomeric SMILES
CCCCC(CC)C(=O)OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H18O2
Heavy Atom Count
12
Molecular Weight
170.252
Exact Molecular Weight
170.1307
Valence Electrons
70
Radical Electrons
0
tPSA
26.3
MolLogP
2.8895
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

 30 29  0  0  0  0  0  0  0  0999 V2000
    3.6396   -2.1736   -0.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9284   -0.8922    0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5314   -0.8335   -0.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481    0.4827    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4331    0.7463   -0.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3810   -0.2577    0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0146   -1.0810    0.8978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6934   -0.3322   -0.4113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5477   -1.3057    0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7981   -1.3794   -0.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9584    2.0953    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1084    3.2352   -0.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2800   -3.0124    0.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7252   -1.9992    0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5258   -2.4651   -1.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4801   -0.0188   -0.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8161   -0.8396    1.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5946   -0.8301   -1.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9209   -1.6732   -0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0056    0.5108    1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6738    1.2666   -0.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3838    0.7549   -1.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2030   -2.0067    0.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2022   -0.7066   -1.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4684   -2.1210    0.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0814    2.0391    1.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9700    2.2067   -0.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    3.3374    0.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7268    4.1700   -0.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0822    3.0832   -1.5413 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  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  3
  5 11  1  0
 11 12  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  5 22  1  0
  9 23  1  0
 10 24  1  0
 10 25  1  0
 11 26  1  0
 11 27  1  0
 12 28  1  0
 12 29  1  0
 12 30  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers