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
   -3.0993   -1.1559   -1.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8511   -1.1336    0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4410   -0.7266    0.7431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0828    0.6321    0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3067    1.0213    0.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3780    0.1643    0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2097    0.7019   -0.6708 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5773   -1.1635    0.4369 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6308   -1.8565   -0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8661   -3.1266    0.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5032    2.4789    0.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8760    2.9846    0.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2694   -0.1336   -1.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0421   -1.7170   -1.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3073   -1.6710   -1.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5783   -0.4926    0.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9835   -2.1779    0.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3454   -0.7707    1.8365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966   -1.4547    0.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2120    0.6608   -0.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7636    1.4018    0.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3601    1.0202    1.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2922   -1.3419   -0.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7058   -3.6225   -0.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522   -3.7250    0.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2840    2.6536   -0.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2337    3.0547    0.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5777    2.9721   -0.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7820    4.0580    0.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3044    2.4654    1.4971 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