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
   -3.5629    0.8152   -0.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5797    0.2959    0.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8406   -0.9348    0.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3749   -0.9814    0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9347   -0.7255   -0.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5790   -0.8319   -0.9904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2623    0.1693   -0.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6928    0.1123   -0.2881 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4597    0.9943    0.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8629    1.7882    1.2274 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9337    1.0025    0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5455    0.1685   -0.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3710    0.0861   -1.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9779    1.7724   -1.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6227    1.1765   -1.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    1.1329    1.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6659    0.1880    0.7711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3282   -1.7764    0.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0442   -1.2085    1.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8920   -0.2371    1.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9375   -1.9643    0.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1446    0.3496   -1.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4658   -1.3476   -1.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -1.8772   -0.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7947   -0.7141   -2.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0440   -0.0069    0.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8756    1.1786   -0.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4644    1.6996    0.9517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9601   -0.5208   -1.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6347    0.1967   -0.5064 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