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
   -5.0325   -0.6838    0.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6552   -0.0961    0.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7547   -0.5824   -0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3790    0.0018   -0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4154   -0.4264   -1.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9644    0.1485   -0.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5929   -0.2540    0.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8663    0.3327    0.4149 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9341    0.1156   -0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7708   -0.6934   -1.3734 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2295    0.8041   -0.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167    1.6445    0.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6414   -0.6674    1.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5594   -0.1435   -0.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8707   -1.7517    0.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2727   -0.3904    1.7719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7487    0.9987    0.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6673   -1.6732   -0.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1911   -0.2541   -1.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4664    1.1021   -0.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0066   -0.3513    0.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7739   -0.0585   -2.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3920   -1.5314   -1.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6153   -0.0934   -1.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8383    1.2628   -0.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6456   -1.3723    0.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9538    0.0586    1.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0220    0.5809   -0.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3650    2.1246    0.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6123    1.8484    1.4315 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