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
   -3.3274    1.9087   -0.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5813    0.7674    0.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3671    0.4187   -0.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5967   -0.7231    0.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6239   -1.0889   -0.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5827    0.0153   -0.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8598    0.4217   -1.9005 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2048    0.6411    0.3091 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1097    1.6833    0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6910    2.9286    0.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3424   -2.1942    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4113   -3.3724    0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5886    2.6839    0.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2457    1.5239   -0.7324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7079    2.4241   -1.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2374    1.1128    1.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2695   -0.0864    0.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6036    0.2604   -1.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6876    1.3176   -0.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2652   -1.6120    0.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3387   -0.5309    1.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625   -1.5239   -1.5756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1872    1.4785    0.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6470    3.1274    0.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    3.7753    0.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2824   -2.4975   -0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5977   -1.8546    1.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2447   -3.1623    1.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1867   -3.5502   -0.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9989   -4.2923    0.4748 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