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
   -2.8158   -1.9995    1.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2783   -1.0886    0.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0223   -1.6246   -0.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5272   -0.7206   -1.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2342    0.6463   -0.7968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8133    0.4973    0.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6257    0.8506    1.4469 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0245   -0.0412   -0.0394 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0320   -0.2210    0.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1524    0.0332    2.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3878    1.5349   -1.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6308    2.8812   -1.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9068   -1.7726    1.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6661   -3.0633    1.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3326   -1.7409    2.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0472   -0.1144    0.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0540   -0.8765   -0.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2753   -1.7627    0.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1800   -2.6647   -0.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138   -1.1588   -1.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2608   -0.6446   -2.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1531    1.0920   -0.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9276   -0.6814    0.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4377    0.4689    2.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0950   -0.2031    2.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3884    1.1418   -2.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2515    1.6358   -2.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4492    2.7732   -0.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9560    3.6479   -1.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3289    3.1753   -0.7242 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