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
    3.9145    1.4467   -0.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0357    0.2118   -0.8026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879    0.5695    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9409   -0.6812    0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3222   -0.5068    0.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2284    0.5361    0.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    1.2297   -0.7525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4396    0.8320    0.9276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3034    1.7969    0.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2486    1.4819   -0.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0118   -1.8306    0.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3681   -2.5101   -0.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8381    1.1407   -1.4106 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2348    1.6808    0.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4259    2.2889   -1.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6050   -0.6067   -0.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7658   -0.0310   -1.8413 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0616    0.8414    1.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2735    1.3870   -0.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828   -0.9647   -1.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5437   -1.4551    0.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0259   -0.1638    1.8267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2008    2.8049    0.8133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9418    2.2547   -0.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4186    0.4993   -0.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3503   -2.4587    1.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9367   -1.6662    1.5848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9849   -3.5509   -0.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9461   -2.0396   -1.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4669   -2.5370   -0.4262 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