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
   -3.3889   -1.8535   -0.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5219   -0.6437   -0.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9185   -0.2036    0.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0383    0.9984    0.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1020    0.7641   -0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0272   -0.3120    0.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8972   -0.9360    1.2267 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1124   -0.7034   -0.6413 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9740   -1.7310   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9712   -2.0328   -1.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8430    2.0614   -0.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3967    2.6556    0.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2787   -1.7998   -0.8701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8681   -2.8014   -0.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6658   -1.9366    0.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1711    0.1824   -0.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7697   -0.9392   -1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3895   -1.0268    1.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8046    0.0579    1.4704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6637    1.8089    0.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7346    1.4094    1.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3474    0.5057   -1.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8588   -2.2564    0.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1455   -1.5376   -1.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6807   -2.8181   -0.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1196    2.7726   -0.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6788    1.8579   -1.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9613    3.5654    0.4653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1605    1.9540    1.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6319    2.9383    1.4778 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