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
   -2.7586   -1.7702    1.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0369   -1.1666   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2114    0.1121   -0.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7614   -0.2991   -0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1951    0.8370   -0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5685    0.2931   -0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3431    0.4153   -1.1334 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0293   -0.3391    0.9899 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3486   -0.8271    1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8378   -1.4296    2.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0316    1.5383   -1.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0145    2.6800   -1.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2221   -1.0746    2.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6779   -2.1119    1.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1211   -2.6686    1.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7988   -1.9112   -0.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1124   -0.9377   -0.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4957    0.8718    0.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3867    0.4846   -1.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -0.7587    0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5151   -1.0682   -0.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0808    1.6197    0.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9799   -0.6992    0.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8462   -1.7970    2.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2696   -1.6015    2.9928 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2742    0.8266   -2.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0004    1.8748   -1.7851 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4075    2.9451   -0.7239 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5204    3.5764   -2.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9002    2.3855   -2.3363 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