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
   -2.8074   -2.1659    0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0507   -1.1513   -0.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1893    0.0831   -0.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7305   -0.2928   -0.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1725    0.9013   -0.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6028    0.5290   -0.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3152    1.0438   -1.5011 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2088   -0.3474    0.2746 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5618   -0.6339    0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1300   -1.4639    1.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0408    1.5439    0.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8983    2.7304    0.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4860   -3.0277   -0.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1211   -1.7329    1.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7882   -2.5732    0.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1203   -0.8627   -0.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7933   -1.5888   -1.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4894    0.5057    0.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4558    0.7995   -1.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5116   -0.8458   -1.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5561   -0.9482    0.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0413    1.6210   -1.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1700   -0.1850   -0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5519   -1.9410    1.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1766   -1.7145    0.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1183    0.7956    1.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0941    1.8593    0.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3677    3.5363    1.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1440    3.0753   -0.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8581    2.4507    1.3860 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