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
   -5.4684    0.5194    0.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2652   -0.1272   -0.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0243    0.4643    0.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7649   -0.1597   -0.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5198    0.4267    0.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6658   -0.2480   -0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9788    0.2579    0.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0318   -0.4045   -0.3609 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3380   -0.0994   -0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5185    0.7733    0.8696 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4908   -0.7410   -0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7153   -0.4136   -0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2597    0.8909    1.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8412    1.3862   -0.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2836   -0.2455    0.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2979    0.0503   -1.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2306   -1.2233   -0.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0008    1.5472    0.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0510    0.1768    1.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7945   -1.2643   -0.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8153    0.0432   -1.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5450    1.5147    0.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5612    0.2996    1.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5740   -0.0804   -1.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5650   -1.3292   -0.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0392    1.3425   -0.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0072    0.2564    1.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3538   -1.4963   -1.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5799   -0.8679   -0.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8653    0.3461    0.5088 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