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
   -1.9347    2.2554    0.9734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3979    0.8016    0.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0684    0.1768   -0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6365    0.1524   -0.7426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2999   -0.6010    0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6691   -0.3526   -0.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3652   -1.2994   -0.9322 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1793    0.9301   -0.6236 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4165    1.2166   -1.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4964    1.2549   -0.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1445   -2.0939    0.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1666   -2.6144    0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6607    2.8250    1.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    2.2836    1.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9082    2.6713   -0.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9809    0.2998    1.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5040    0.7913    1.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5330    0.9001   -1.1657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6481   -0.7361   -0.5491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2666    1.1945   -0.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5285   -0.2599   -1.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3779   -0.2631    1.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4876    1.4086   -2.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4991    1.0735    0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4370    1.4810   -0.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9334   -2.5442    0.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4248   -2.4421   -0.9079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7331   -1.9785    1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7723   -2.9293   -0.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0557   -3.6022    1.1354 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