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
   -4.1854    1.0823    0.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1960   -0.3220    0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9798   -0.5750   -0.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6924   -0.4045    0.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5600   -0.6791   -0.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8010   -0.5456    0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8121   -0.8467   -0.9842 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1359   -0.7829   -0.5826 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7403    0.3569   -0.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0191    1.3825    0.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1526    0.3660    0.3388 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7387    1.4273    0.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8202    1.7814    0.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4206    1.1600    1.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1816    1.4237    1.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0768   -0.3939   -0.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3218   -1.0519    1.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0245   -1.5720   -0.9107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9803    0.1771   -1.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6590    0.5773    0.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6995   -1.1821    1.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6398   -1.7215   -0.9156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5844    0.0600   -1.4073 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8951   -1.2704    0.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9216    0.4739    0.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5602   -0.2155   -1.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6117   -1.9086   -1.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7269   -0.5446    0.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1326    2.3403    0.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7744    1.4076    1.1143 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