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
    3.9308   -0.4453   -0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4952   -0.5959    0.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5701   -0.5427   -0.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1400   -0.6946   -0.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4154    0.3177    0.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8564   -0.1157    0.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1716   -0.3669    1.9281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7852   -0.2332   -0.2462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1143   -0.6325   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4617   -1.8929   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    1.6925   -0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7065    2.3848   -0.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398   -0.9958    0.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2884    0.6082    0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0901   -0.8574   -1.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3816   -1.6482    0.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1559    0.0797    1.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8571   -1.4482   -1.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7936    0.3015   -1.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5265   -0.8429   -1.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0825   -1.7238    0.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515    0.2719    1.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8286    0.1410    0.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7079   -2.6344   -0.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4910   -2.1541    0.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0239    2.3770    0.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3037    1.6708   -0.9109 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6376    3.5140   -0.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6349    2.0941   -0.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7513    2.3712   -1.6451 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