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
    2.9638   -2.1092   -0.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1331   -0.8586   -0.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7871   -0.2852    0.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    0.9587    0.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3460    0.7750   -0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2393   -0.1967    0.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9534   -0.8298    1.5782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4755   -0.4360   -0.0374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3981   -1.3337    0.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4345   -2.6039    0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0576    2.1355   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2216    3.1864   -0.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0431   -2.6837   -1.4194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9698   -1.8023   -0.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5101   -2.6998    0.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6275   -0.1086   -1.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1854   -1.1900   -1.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7484   -0.0005    1.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520   -1.0856    1.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8043    1.4061    1.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5532    1.6949   -0.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2220    0.4687   -1.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1022   -0.9292    1.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6906   -2.9378   -0.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1648   -3.2477    0.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0304    2.0823   -0.6211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3117    2.4165    0.9635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4290    2.6383   -1.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8211    3.9106   -1.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3996    3.6656    0.0236 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