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
   -3.3695    1.2265    0.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3574    0.2332   -0.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1323   -0.6458   -0.5494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8671    0.1572   -0.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3451   -0.7231   -0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5364    0.1901   -0.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3312    0.0742   -1.7863 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    1.1707    0.1244 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    2.0404    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0224    1.7330    0.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4984   -1.3943    0.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7391   -2.2919    0.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4675    1.1791    1.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4745    2.2414    0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2430    1.1048    1.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2353   -0.4352   -0.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4593    0.6964   -1.5558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1986   -1.2843   -1.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402   -1.3406    0.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9481    0.7441   -1.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7443    0.8951    0.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3775   -1.4697   -1.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7421    2.9743   -0.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8806    2.3754    0.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1362    0.7899    1.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6553   -0.6270    1.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3435   -2.0607    0.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5939   -3.0414   -0.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6633   -1.7105    0.5675 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7757   -2.8013    1.6595 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