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
   -3.3720    1.0089   -0.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9988    0.3602   -0.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3270   -0.9809    0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3031   -1.9423    0.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3205   -1.7012    1.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6710   -0.5997    1.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4692   -0.8853   -0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4341    0.0894   -0.2691 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0963    1.4047   -0.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9097    1.8141   -0.4676 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1783    2.3883   -0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4311    1.9999   -0.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7663    0.4580   -1.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2325    2.0711   -1.0784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0324    0.9173    0.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5701    1.0610    0.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3650    0.3697   -1.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1143   -0.8923    0.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9497   -1.4781   -0.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659   -2.8964    0.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7306   -2.3350   -0.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7937   -1.5871    2.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3041   -2.6445    1.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3060    0.4162    1.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4612   -0.6729    2.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9320   -1.8977    0.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7228   -0.9399   -0.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9367    3.4083   -0.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6836    0.9679   -0.5838 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2060    2.7184   -0.9315 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