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
    3.6600   -0.3591    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5608   -1.3053   -0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2262   -0.5915   -0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9177   -0.0358    0.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3718    0.7109    1.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5680   -0.0464    0.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4614   -0.1907    1.6299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8563   -0.6587   -0.4592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0113   -1.3640   -0.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0542   -2.6457   -0.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862    2.0057    0.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5930    2.7609    0.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6207   -0.5790   -0.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3547    0.6805   -0.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7637   -0.4009    1.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4629   -2.0855    0.4601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8026   -1.8242   -1.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.2748   -0.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3475    0.2506   -1.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7289    0.6833    1.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9426   -0.8223    1.7199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4362    1.0633    2.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8706   -0.8554   -1.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1961   -3.1751   -0.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9659   -3.1889   -0.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5191    2.6035    0.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0451    1.7823   -0.8261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0449    2.6315    1.3451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3865    3.8510    0.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2598    2.3800   -0.4613 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