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
   -4.8400   -0.6750   -0.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9771   -0.0758    0.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5249   -0.4101    0.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0209    0.1065   -0.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5635   -0.1952   -1.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3381    0.4015    0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7408    0.0190   -0.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7080    0.5023    0.5442 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0373    0.1901    0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116   -0.5255   -0.7348 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1216    0.6292    1.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3746    0.3213    0.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3379   -1.4620   -0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7535   -1.1303    0.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1598    0.1011   -1.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1338    1.0368    0.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3315   -0.4417    1.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9764    0.0978    1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3830   -1.4893    0.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5733   -0.3770   -1.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2309    1.1916   -0.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3870   -1.2646   -1.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2871    0.2596   -1.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1266   -0.0289    1.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2128    1.4894    0.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9577    0.4651   -1.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8441   -1.0746   -0.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9231    1.2326    1.9859 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2051    0.6492    1.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -0.2954   -0.0312 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