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
    3.1057    1.6083   -0.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6859    1.0037   -0.6052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8240   -0.4676   -0.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5513   -1.2345   -0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4540   -0.9815    0.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9696    0.4031    0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9697    1.0379    1.7153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690    1.0782   -0.4852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9662    2.3339   -0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1126    3.2338    0.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6514   -1.9080    0.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2444   -3.3590    0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871    1.0629   -1.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4910    1.6295    0.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9760    2.6379   -0.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2293    1.2495   -1.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1468    1.5252    0.1804 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4534   -0.7992   -1.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4373   -0.7400    0.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034   -1.0167   -1.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8011   -2.3265   -0.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0276   -1.2055    1.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3115    2.6433   -1.5649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5359    4.1973    0.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8274    3.0719    1.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1735   -1.7604   -0.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3143   -1.6831    1.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7602   -3.5704    1.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -3.7154   -0.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1927   -3.9485    0.5280 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