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
   -2.9562    0.8909    0.7793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9529   -0.1480   -0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0151    0.1191   -1.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5836    0.2870   -1.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2336   -0.7992   -0.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6636   -0.2048   -0.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5835   -0.7362   -1.1915 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8146    0.9512    0.1032 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9504    1.6778    0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1044    1.4102   -0.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0147   -0.9922    0.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9145   -2.1270    1.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4016    0.4108    1.6821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9355    1.2104    1.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5800    1.7656    0.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8618   -1.1333    0.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0079   -0.0590   -0.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1841   -0.6704   -2.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4184    1.0622   -1.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3852    1.2464   -0.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0999    0.5761   -2.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2090   -1.7316   -1.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8335    2.5906    0.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3496    0.5755   -0.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9413    2.0990   -0.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -0.0913    1.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9900   -1.1428    1.2416 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6498   -3.0911    0.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7600   -2.1330    2.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9555   -1.8130    1.2714 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