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
   -3.3025    0.3053    1.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4040    0.8692    0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2640    0.2758   -0.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9901    0.6782   -0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2494    0.1964   -0.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4588    0.6480    0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018    1.3403    1.0669 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7407    0.3306   -0.3932 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8494    0.7668    0.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3999    0.0734    1.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2311   -1.3082   -0.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4796   -1.8316   -1.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3385    0.1950    1.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7127    0.9445    2.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8338   -0.7090    1.5505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3919    0.6653   -0.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3043    1.9720    0.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3813   -0.8154   -0.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2977    0.7541   -1.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9870    0.2556    1.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0026    1.7740    0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2771    0.6460   -1.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2897    1.7171    0.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2593    0.4184    1.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9791   -0.8813    1.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -1.7128    0.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6209   -1.5880   -1.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3316   -1.9388   -0.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6714   -1.1895   -2.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2330   -2.8513   -1.8568 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