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
    4.4385    0.0677    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1111    0.2581   -0.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667    0.1625    0.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6720    0.3585   -0.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5350    0.2918    0.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7359    0.4976   -0.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6053    0.6885   -1.6159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9926    0.4754    0.2093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0825    0.6747   -0.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5289    1.8814   -0.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7106   -1.0236    1.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8244   -2.1862    0.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1947    0.6081   -0.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3643    0.4899    1.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6696   -1.0296    0.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0684    1.2608   -1.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0267   -0.5088   -1.4304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1157    0.8699    1.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9857   -0.8726    0.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5751   -0.3658   -1.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6984    1.3661   -0.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5475    1.0824    1.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5133   -0.2037   -1.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3902    1.9894   -1.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0669    2.7337   -0.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0807   -1.1976    1.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6857   -0.9728    1.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0056   -2.2331   -0.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9477   -3.1039    0.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8070   -2.0589   -0.3370 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