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
   -2.4303   -2.4033    1.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690   -1.0537    0.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1681   -1.1828   -0.7272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8496    0.1896   -1.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1552    1.0749   -0.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1351    0.5046    0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2001    1.1440   -0.0220 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2524   -0.7141    0.8116 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -1.2286    1.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1773   -1.9997    0.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1019    2.4049   -0.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7979    3.3835   -0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4245   -2.2767    1.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7190   -2.6726    1.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5356   -3.1850    0.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0005   -0.5546    0.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5353   -0.5032    1.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7932   -1.6782   -1.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2911   -1.8038   -0.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7641    0.7147   -1.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1800    0.1205   -2.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7789    1.2689    0.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8725   -1.0232    2.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1175   -2.4236    0.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7826   -2.2121   -0.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862    2.2299   -1.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8566    2.8646   -1.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1777    4.2964    0.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0647    2.9699    0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7097    3.7486   -0.6088 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