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
   -3.3648    1.1834    1.6932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7090    0.1846    0.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4592    0.7599    0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8868   -0.3348   -0.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3663    0.2414   -1.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2780    0.5764   -0.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6657    1.7433   -0.1489 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6698   -0.4110    0.5556 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4763   -0.3541    1.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0657    0.7091    2.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0531   -0.7205   -2.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5059   -1.9908   -1.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6476    2.1016    1.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7587    1.3848    2.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3178    0.7207    2.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5122   -0.7423    1.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4582   -0.0645   -0.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7367    1.1205    0.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7714    1.5807   -0.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6733   -0.5610   -1.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6473   -1.2336   -0.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1195    1.1510   -2.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6589   -1.2942    2.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207    0.6660    2.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9813    1.6767    1.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9594   -0.2676   -2.8023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3892   -0.9673   -3.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4738   -1.7660   -1.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7462   -2.4212   -1.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8130   -2.6711   -2.5124 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