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
   -3.6143   -0.4473    1.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6206   -1.0619   -0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0256   -0.1917   -1.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6032    0.1928   -0.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1152    0.9281    0.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3590    1.2688    0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2515    0.0786   -0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5831    0.6272   -0.2926 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6705   -0.2164   -0.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4471   -1.4478   -0.4847 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0383    0.3239   -0.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -0.4904   -0.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6187   -0.5748    1.8266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4698    0.6514    1.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9172   -1.0122    1.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7148   -1.1961   -0.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2285   -2.1070   -0.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7066    0.7173   -1.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1566   -0.6944   -2.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3861    0.8265   -1.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9236   -0.7007   -1.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6216    1.8746    0.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1861    0.2919    1.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7377    1.9003    0.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3987    1.8391   -0.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1980   -0.6197    0.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0184   -0.5160   -1.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1706    1.3958   -0.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9186   -1.5575   -0.7880 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0506   -0.0823   -0.8624 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