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
   -3.9722    1.0536   -0.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6398    0.8654    0.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8247   -0.4128    1.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5413   -0.2853    0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7942   -1.5700    0.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5025   -1.6150   -0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976   -0.5238    0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6562   -0.5262   -0.6328 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5996    0.4281   -0.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2979    1.2532    0.6103 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9031    0.5151   -0.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7731    1.4412   -0.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8344    1.7698   -0.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0725    1.4383   -1.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2942    0.0803   -0.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0647    1.6946    1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6035    0.7732    1.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3588   -1.2904    0.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5658   -0.5664    2.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7967   -0.1561   -0.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9874    0.5942    0.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4530   -2.4277    0.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5051   -1.6725    1.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655   -2.6095   -0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2390   -1.4927   -1.5145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6284   -0.7156    1.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9116    0.4691   -0.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1901   -0.1760   -1.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    2.1358    0.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7461    1.5279   -1.0447 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