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
    4.0313   -0.5549   -1.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6516    0.0403   -1.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8143   -0.5461   -0.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4732    0.1178   -0.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4980   -0.3218    0.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7650    0.4202    0.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8271   -0.2020    0.2396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8118    1.7976    0.5337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9711    2.5256    0.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9522    3.8366    0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7040   -1.8045    0.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6939   -2.2972    1.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7961    0.2043   -1.7366 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0358   -1.3319   -2.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3360   -0.9895   -0.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7164    1.1429   -1.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0842   -0.1502   -2.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7580   -1.6451   -0.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3257   -0.3793    0.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6552    1.2177   -0.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0644   -0.0423   -1.3670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1328   -0.0993    1.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9117    2.0023    0.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8503    4.4069    0.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0306    4.3411    0.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0463   -2.1021   -0.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2850   -2.2888    0.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4327   -3.3089    2.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7101   -2.3632    1.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6896   -1.6265    2.5420 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