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
   -4.1143   -1.3282   -0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398   -1.4080    0.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9070   -0.1534   -0.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4623   -0.3841   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4535    0.7226   -0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    0.3411   -0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4643    1.0562    0.7628 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4058   -0.7806   -0.5706 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6869   -1.2173   -0.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1126   -2.3182   -0.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0632    2.0262    0.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9686    3.1562   -0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5380   -0.3338    0.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6330   -1.9921    0.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3136   -1.7980   -1.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4667   -1.4301    1.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1706   -2.2618   -0.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2731    0.7207    0.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0546    0.0159   -1.3898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3070   -0.5977    1.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1408   -1.3018   -0.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4588    0.9195   -1.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3477   -0.7017    0.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1073   -2.6733   -0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5005   -2.8906   -1.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0677    1.8535    1.3512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875    2.2670   -0.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7787    3.2877    0.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3786    4.1165   -0.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3816    3.0875   -1.1410 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