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
   -3.7506    0.7859    0.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6532    1.6351    0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5899    0.8160   -0.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9758   -0.1400    0.5653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0848   -0.9481   -0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0867    0.0055   -0.6709 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.0543   -1.9065 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8249    0.8610    0.1327 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7658    1.7498   -0.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0268    1.4150   -0.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6871   -1.9776    0.7714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7302   -2.7684    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0737   -0.0360    0.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6506    1.4524    0.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5053    0.4510    1.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0957    2.3994   -0.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1654    2.1604    1.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9877    0.2489   -1.2924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    1.5295   -0.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7810   -0.7779    0.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5414    0.4124    1.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3642   -1.4918   -1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4706    2.7470   -0.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7416    2.1014   -0.9811 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3686    0.4328   -0.2924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1296   -2.6604    1.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0540   -1.4863    1.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6814   -2.5503   -1.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7092   -2.5509    0.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5782   -3.8703    0.1696 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