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
    4.0989    0.9980   -0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6040    1.1354   -0.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9258    0.3371    0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4433    0.5726   -0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4031   -0.1324    0.9522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8265    0.1804    0.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5899    0.7539    1.4628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3511   -0.1763   -0.5797 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6401    0.0548   -0.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9715    1.1645   -1.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1557   -1.6215    0.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0292   -2.3294    1.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4763    0.5988    0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4186    0.3097   -1.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5298    1.9899   -1.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2063    0.7134   -1.9385 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2630    2.1913   -0.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2551    0.6740    1.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2169   -0.7223   -0.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1920    0.1175   -1.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2617    1.6418   -0.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1408    0.2164    1.9746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3880   -0.6842   -0.7763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2769    1.9599   -1.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0026    1.3492   -1.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9134   -1.8142    1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4393   -1.9834   -0.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -1.8901    1.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5489   -2.1977    2.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0168   -3.4071    1.6724 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