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
   -3.7191   -0.1667    1.7299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2422   -0.7457    0.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7881   -0.4151    0.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5272    1.0408    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0776    1.3210   -0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3463    0.7033   -1.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8144    0.9992   -1.7928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6802    0.5094   -0.8159 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7762   -0.8200   -0.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0544   -1.6395   -1.1447 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6854   -1.2829    0.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4332   -0.4212    1.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1646   -0.6616    2.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6001    0.9394    1.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8058   -0.3821    1.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2939   -1.8511    0.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8755   -0.4629   -0.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6086   -0.9330   -0.8480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1179   -0.9000    0.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0920    1.5420   -0.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7672    1.5093    1.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1336    2.4126   -0.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5514    0.9163    0.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2233    1.2404   -2.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1522   -0.3635   -1.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0200    0.5481   -2.7898 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9881    2.0868   -1.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478   -2.3296    0.7301 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4001    0.6399    0.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1197   -0.7496    1.9251 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