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
   -2.3341   -2.0984    0.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2232   -1.4489   -1.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9745   -0.6336   -1.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8522    0.4899   -0.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4649    1.2118   -0.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6134    0.3030   -0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3372    0.1020   -1.4390 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9430   -0.3490    0.7489 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0473   -1.1800    0.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174   -2.4606    0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6367    2.3989    0.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5477    3.3367    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6098   -1.7410    1.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3507   -1.9430    0.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1895   -3.2120    0.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1188   -0.8457   -1.3077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1856   -2.2628   -1.8167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0701   -1.2642   -1.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0087   -0.1881   -2.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7472    0.0912    0.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6346    1.2412   -0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3721    1.5625   -1.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0439   -0.8298    0.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7623   -3.1305    0.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9513   -2.8602    0.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7336    2.1178    1.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5390    2.9465    0.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2309    4.4031    0.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9983    3.1176   -0.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862    3.1256    0.9060 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