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
   -3.7332   -1.7913    0.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9645   -0.5070    0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6027   -0.7718   -0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9303    0.5530   -0.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4204    0.5387   -0.9957 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125   -0.2678   -0.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1529   -0.8716    0.8135 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6985   -0.3730   -0.7324 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7484   -1.0582   -0.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8059   -1.7763    0.8784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8684    1.9698   -1.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9482    2.7449    0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3123   -2.6023   -0.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6419   -2.0744    1.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7924   -1.6827    0.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8435    0.0594    1.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5760    0.1403   -0.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7238   -1.2465   -1.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -1.4336    0.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843    0.9947    0.6644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6272    1.2243   -0.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316    0.0968   -2.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6899   -0.9862   -0.7855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9935   -1.9540    1.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7377   -2.2556    1.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    1.9970   -1.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0953    2.4496   -1.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9338    3.2886    0.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1060    3.4694    0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9558    2.1258    0.9940 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