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
   -3.9629   -0.3508   -0.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5893    0.2552   -0.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0098   -0.4528    0.7443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6564    0.0943    1.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3245   -0.0572   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6588    0.5023    0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6582   -0.2399    0.2600 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8117    1.8168    0.5879 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9551    2.4938    0.9334 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1718    2.0421    1.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3892   -1.4999   -0.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3555   -1.7701   -1.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8567   -1.2903   -1.2387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5745    0.4125   -1.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3885   -0.5820    0.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6788    1.3257   -0.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9404    0.1382   -1.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6449   -0.2838    1.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0238   -1.5406    0.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1791   -0.4233    1.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7297    1.1883    1.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0246    0.5861   -0.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7696    3.5773    1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9659    2.7127    1.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4098    1.0240    0.8414 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6405   -2.1687    0.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6219   -1.8002   -0.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0010   -2.6877   -2.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4089   -0.9657   -2.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3606   -2.0562   -1.1778 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