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
   -1.8457   -1.8705    0.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7369   -0.3991    1.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9148    0.4963    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9930    0.4057   -1.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4362    0.6705   -0.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1177   -0.2277    0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6948    0.2285    1.1372 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1993   -1.6050   -0.0588 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8556   -2.3981    0.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1407   -2.6298    0.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7890    2.0912   -0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3415    3.0839   -1.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2592   -2.4883    1.6230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8962   -2.1695    1.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5116   -2.0146   -0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8617   -0.2569    1.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6107   -0.1758    1.9531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    1.5288    0.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9472    0.2562   -0.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3925    1.1152   -1.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1048   -0.5928   -1.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9550    0.4986   -1.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2892   -2.7909    1.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -2.2174   -0.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6243   -3.2573    1.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4082    2.4153    0.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8967    2.1507   -0.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5309    4.0996   -1.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9342    3.0056   -2.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7439    3.0476   -1.7542 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