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
    2.6583    1.5417   -1.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9508    0.8724    0.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7004    0.3364    0.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0381   -0.6779   -0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2198   -1.2449    0.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2137   -0.1519    0.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6133    0.0735    1.9494 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7159    0.6347   -0.2461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6268    1.6344    0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2612    2.8720    0.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207   -2.1731   -0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0901   -2.8157   -0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6853    0.8328   -2.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4198    2.3412   -1.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6804    2.0555   -1.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7028    0.0762   -0.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4047    1.6415    0.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9259   -0.0805    1.7809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9973    1.1793    0.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7412   -1.5140   -0.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7436   -0.1992   -1.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0140   -1.7661    1.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6778    1.3839   -0.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9811    3.6332    0.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2128    3.1341    0.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1008   -2.9891   -0.7551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9714   -1.6093   -1.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9237   -2.0799    0.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8764   -3.3018    0.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3291   -3.6393   -0.7576 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