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
   -4.2593    1.1210    0.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7800    1.1518    0.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9987    0.2932   -0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5612    0.4154    0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3858   -0.3657   -0.6243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7653   -0.0957   -0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484   -1.0511    0.3632 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2865    1.1595   -0.0144 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5105    1.5398    0.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4506    0.7911    0.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1689   -1.8266   -0.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026   -2.4597   -1.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6273    2.1098    0.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4544    0.3320   -0.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8295    0.9576    1.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5445    0.7822    1.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4416    2.1964    0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3990   -0.7354   -0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2127    0.6774   -1.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2850    1.4892    0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4698    0.1003    1.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3444    0.0350   -1.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6991    2.6356    0.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3837    1.2739    1.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4212   -0.2677    1.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8627   -2.0813   -0.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3003   -2.3073    0.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0129   -2.9239   -0.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7336   -3.2679   -2.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6120   -1.6788   -2.2421 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