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
   -2.9407   -1.3139   -1.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7062   -1.0323    0.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2526   -0.6623    0.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8399    0.5561   -0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5597    0.9131    0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4777   -0.1688   -0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2184   -0.0292   -1.0926 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5480   -1.3344    0.6347 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4308   -2.3148    0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491   -2.3245    0.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0277    2.1860   -0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2137    3.3817   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7882   -0.4229   -1.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9897   -1.6635   -1.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3111   -2.1800   -1.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4135   -0.2834    0.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8907   -1.9770    1.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6562   -1.5282    0.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1251   -0.4908    1.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5744    1.3700    0.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9533    0.3231   -1.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6435    1.1474    1.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0741   -3.0653   -0.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9671   -1.5699    1.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3350   -3.0836    0.4001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0913    2.0816   -1.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0645    2.3559   -0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7122    4.2770   -0.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2492    3.4911    1.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8203    3.3620   -0.3816 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