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
   -5.0608    0.4559   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9138   -0.3871    0.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5945    0.0598   -0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5052   -0.8310    0.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1564   -0.4930   -0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586    0.9278    0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6279    1.2374   -0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5894    0.3652    0.1395 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9238    0.4516   -0.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2403    1.3345   -1.0597 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418   -0.4312    0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2020   -0.3118   -0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7398    1.4226   -0.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7392    0.6754    0.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6771   -0.1308   -0.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8328   -0.2704    1.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1136   -1.4540    0.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4099    1.1035    0.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6047   -0.0659   -1.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5336   -0.8521    1.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7486   -1.8653    0.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5877   -1.1846    0.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2147   -0.5635   -1.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4744    1.6648   -0.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3245    1.0558    1.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6199    1.0541   -1.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8858    2.3087   -0.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6528   -1.1876    1.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9908   -0.9448    0.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4739    0.4477   -0.7760 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