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
   -5.0077    0.7737   -0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6158    0.1806   -0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9786   -0.1412   -1.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6199   -0.7277   -1.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7054    0.2255   -0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6238   -0.4887   -0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6453    0.3641    0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8359   -0.4017    0.4824 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9961    0.0430    1.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0039    1.1903    1.5875 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2137   -0.7831    1.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2992   -0.3072    1.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9150    1.6928   -0.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6476    0.0348   -0.8647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4400    0.9417    0.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7343   -0.7514    0.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0688    0.9064    0.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9163    0.7257   -2.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6183   -0.9139   -1.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1463   -1.0472   -2.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7145   -1.6754   -0.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6199    1.1818   -0.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1181    0.4022    0.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4672   -1.4181    0.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9936   -0.6878   -1.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214    0.5844    1.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8025    1.3307   -0.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2473   -1.7747    0.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2015   -0.8772    1.7799 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3154    0.6829    2.1619 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