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
   -2.5528    2.1108    0.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9283    0.8849    0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9892   -0.2965    0.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6242    0.1581    0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208   -0.7493    0.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7533    0.0011    0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263   -0.5266   -0.8896 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1238    1.2057    0.5795 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2878    1.8087    0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4728    1.5652    0.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5323   -2.0783   -0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6004   -3.0054    0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8165    2.7257    0.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0721    1.7780    1.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4704    2.7223    1.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8177    1.0970   -0.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9662    0.5778    0.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0893   -0.4736    1.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3778   -1.1643   -0.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4359    1.0897    0.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5536    0.5247   -0.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -0.8662    1.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2055    2.4928   -0.7560 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3295    2.0538    0.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5367    0.8741    1.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6040   -1.9488   -1.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4821   -2.6495    0.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1087   -2.7542    1.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2727   -3.0899   -0.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2158   -4.0680    0.2973 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