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
   -4.5063    0.4564   -0.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1484    0.1355    0.6907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8595   -0.6470    0.8149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6858    0.1136    0.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4617   -0.7700    0.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7837   -0.0771   -0.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9584   -0.9963    0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1670   -0.4851   -0.3883 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7827    0.6665    0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2060    1.3485    0.9164 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0495    1.1282   -0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6891    0.4524   -1.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5972    1.5790   -0.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5225    0.0787   -0.9795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7380    0.0590   -1.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0126    1.0544    1.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9707   -0.4574    1.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9334   -1.6502    0.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6597   -0.7608    1.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5294    1.0663    0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7909    0.2904   -0.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2725   -1.0052    1.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5986   -1.7247   -0.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5751    0.1313   -1.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9771    0.8660    0.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9864   -1.2937    1.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7369   -1.9398   -0.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4961    2.0430   -0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2391   -0.4721   -1.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6403    0.8103   -1.8517 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