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
   -2.9916    0.7925    0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6711    1.5351    0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8563    1.1815   -0.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5408   -0.2771   -0.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2490   -0.7980    0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5609   -0.1408    0.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6390   -0.7930    0.3910 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7254    1.2204    0.6608 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9602    1.8180    0.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6064    2.2782   -0.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4794   -2.2794    0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846   -3.0752   -0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2048    0.3468   -0.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9496   -0.0495    1.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7807    1.5101    0.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794    1.2129    1.3159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8168    2.6154    0.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0169    1.8420   -0.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4746    1.4417   -1.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5363   -0.8127   -0.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1027   -0.5685   -1.8573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4010   -0.7043    1.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3511    1.8811    1.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5740    2.7509   -0.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1851    2.1976   -1.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0419   -2.4162   -0.8676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1025   -2.7126    0.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5420   -2.7859    0.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5282   -4.1396    0.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2314   -3.0714   -1.0225 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