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
   -2.3571    1.8661    1.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7051    0.8269    0.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4651    0.2584   -0.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6233   -0.3684    0.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6489   -0.9787    0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4797    0.0568   -0.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8325    0.0106   -1.7434 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049    1.1523    0.2129 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6801    2.1424   -0.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9878    2.0676   -0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4392   -2.1508   -0.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3071   -3.2391   -0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9166    1.4208    2.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7232    2.6232    0.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3059    2.3533    1.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3692    0.0451    0.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2904    1.3538   -0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9601    1.0976   -0.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8244   -0.5164   -1.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2214   -1.0702    1.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3181    0.4504    1.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178   -1.3400    1.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2047    2.9862   -0.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5822    2.8521   -0.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4563    1.1950    0.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0407   -1.8990   -1.7429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4380   -2.5673   -1.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3067   -3.4416   -0.4618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3766   -2.9712    1.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2389   -4.2159   -0.0678 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