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
   -3.0962   -2.0715    0.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3585   -1.2145   -0.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2504   -0.4117    0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5841    0.3987   -1.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5451    1.2553   -0.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5598    0.3871    0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9347    0.4393    1.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1580   -0.5719   -0.7345 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1229   -1.4381   -0.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7841   -2.5989    0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0073    2.2944    0.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0127    3.2162    0.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4204   -2.6742    0.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7596   -2.7478   -0.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7758   -1.4197    0.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0910   -0.5121   -1.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8631   -1.8471   -1.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5079   -1.1225    0.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6468    0.1650    0.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3574    1.0833   -1.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2282   -0.3291   -1.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0024    1.7453   -1.4148 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1546   -1.1593   -0.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5380   -3.2783    0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7474   -2.9114    0.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7047    2.9296   -0.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6199    1.8930    1.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793    4.1643    1.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4518    2.8391    1.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7807    3.4975    0.2323 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