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
   -4.3355   -0.7118    0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8988   -1.1093   -0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9698    0.0782    0.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5788   -0.4381    0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5086    0.5733    0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -0.0915    0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5571    0.3652   -0.7944 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1529   -1.1890    0.8209 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3054   -1.9130    0.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3224   -1.7538   -0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2875    1.7526   -0.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3572    2.8155   -0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3635    0.4108    0.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7144   -1.0857    1.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9586   -1.0620   -0.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7666   -1.4399   -1.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6145   -1.9428    0.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0916    0.4237    1.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1613    0.8901   -0.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4272   -0.8639   -0.9600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3975   -1.2762    0.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5011    0.8963    1.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3738   -2.7648    1.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4032   -0.9719   -0.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1990   -2.4156   -0.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2908    1.3876   -1.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6752    2.2190   -0.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9220    3.7105    0.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2026    2.4274    0.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7655    3.0791   -1.3878 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