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
   -2.9678    1.6813    1.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7705    0.3633    0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7779    0.5338   -0.6106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5463   -0.7375   -1.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0141   -1.8384   -0.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3103   -1.4757    0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3701   -1.1897   -0.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6191   -0.8521   -0.3658 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8628    0.2459    0.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8508    0.9784    0.6995 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1865    0.5772    0.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3273    1.6476    1.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5142    2.4806    0.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5291    1.6422    2.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0671    1.8710    1.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7420    0.0540    0.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4117   -0.4106    1.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2031    1.2721   -1.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8248    0.9741   -0.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.5210   -2.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5484   -1.0879   -1.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7850   -2.0784    0.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8782   -2.7915   -1.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5596   -2.3291    0.8066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1405   -0.5660    0.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5102   -2.1502   -1.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0045   -0.4725   -1.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0174   -0.0554    0.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4801    2.2751    1.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2745    1.9594    2.1182 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