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
    2.5411   -2.3276   -0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2855   -1.4546    0.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7678   -0.0643    0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7650    0.9981    0.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    1.2283   -0.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1105    0.0539   -0.7664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2783   -0.3566   -1.9602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7700   -0.6653    0.2063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5705   -1.7462    0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0743   -2.9633    0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2159    2.3643   -0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5046    3.6516    0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7785   -2.4198   -1.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3560   -3.3546    0.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3846   -1.8963    0.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6635   -1.6597   -0.7055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7960   -1.8772    1.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3472    0.2106   -0.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4956   -0.0304    1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2728    2.0044    0.7253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2343    0.8645    1.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2363    1.5308   -1.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6306   -1.6148   -0.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0286   -3.1716    0.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7168   -3.8434   -0.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7667    2.0453    0.8061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9175    2.4722   -0.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1983    3.7637    1.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2105    4.5025   -0.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3298    3.7555   -0.6083 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