Monomers

Heptyl acrylate

Identifiers

IUPAC name
heptyl prop-2-enoate
InchI
InChI=1S/C10H18O2/c1-3-5-6-7-8-9-12-10(11)4-2/h4H,2-3,5-9H2,1H3
InchI Key
SCFQUKBBGYTJNC-UHFFFAOYSA-N
SMILES
CCCCCCCOC(=O)C=C
Canonical SMILES
CCCCCCCOC(=O)C=C
Isomeric SMILES
CCCCCCCOC(=O)C=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
2.686
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
   -3.8519    0.5178    0.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6509    1.0824   -0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2372    0.0992   -1.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8685   -1.2247   -0.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8027   -1.3952    0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6099   -1.0599    0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8826    0.3449   -0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2503    0.6683   -0.3940 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2555    0.4946    0.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9165    0.0053    1.6167 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6567    0.8553    0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5448    0.6501    1.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458    1.3280    0.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3463   -0.2331    0.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4629    0.0775    1.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9566    2.0491   -0.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8228    1.2726    0.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6064    0.6074   -1.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2499   -0.0858   -1.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8318   -1.6103   -0.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7930   -1.9880   -1.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1292   -0.9091    1.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8210   -2.5005    0.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1623   -1.4076    1.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9776   -1.6955   -0.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4079    0.6580   -1.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5438    0.9917    0.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9370    1.2739   -0.7211 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2597    0.2337    2.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5724    0.8998    0.9906 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  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  3
  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
  5 23  1  0
  6 24  1  0
  6 25  1  0
  7 26  1  0
  7 27  1  0
 11 28  1  0
 12 29  1  0
 12 30  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers