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
   -3.8733   -1.2403   -0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8448   -0.2488    0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5441   -0.3788   -0.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6153    0.6885    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7228    0.6824   -0.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4358   -0.5882   -0.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7293   -1.2362   -1.5800 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207   -1.1445    0.6670 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4950   -2.3529    0.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -2.4438    0.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5178    1.8488   -0.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7602    3.1342   -0.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4016   -2.2340   -0.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3795   -0.8828   -1.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6026   -1.3503    0.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5385   -0.3817    1.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1777    0.8082    0.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7132   -0.2937   -1.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1519   -1.3872   -0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5223    0.5306    1.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0776    1.6868   -0.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5359    0.9503   -1.7357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9298   -3.2689    0.8126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3241   -3.3745    0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4045   -1.5395    0.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    1.8985   -0.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5848    1.7301    1.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0153    3.3118    0.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138    3.1181   -1.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5114    3.9579   -0.2365 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