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
   -4.4438    0.6983    0.4669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138    1.1359   -0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0349    0.3626    0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7486    0.7306   -0.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3873   -0.0464    0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6725    0.3142   -0.4631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7247    1.1272   -1.4070 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -0.2758   -0.0409 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0707    0.0044   -0.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8628    0.9696   -0.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1959   -1.5216    0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3705   -2.2317    0.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1824    0.1721    1.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0500   -0.0090   -0.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0929    1.5501    0.7525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3305    0.8719   -1.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0513    2.2360   -0.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9589    0.6793    1.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3113   -0.7038    0.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8089    0.5789   -1.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6012    1.8182   -0.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5067    0.2788    1.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3869   -0.6006   -1.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8178    1.1959   -0.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5939    1.6181    0.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1771   -1.7294   -1.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7217   -1.9234    0.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0029   -3.1734    1.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1043   -2.4854   -0.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8258   -1.6414    1.5486 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