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
   -4.4384    0.0293    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   -1.0129    0.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1965   -1.0553    0.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5534    0.3062    0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1595    0.1931   -0.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5591    1.5005   -0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8880    1.5784   -0.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9124    0.7560   -0.4040 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1716   -0.5623   -0.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3093   -1.2292   -1.1781 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3753   -1.2372   -0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3234   -0.5990    0.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4180   -0.4347   -0.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9358    0.4118   -0.7665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6668    0.8934    0.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0672   -2.0092    0.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5430   -0.7344    1.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2546   -1.3648   -0.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6186   -1.7918    0.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1225    1.0950   -0.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4184    0.4780    1.4601 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3684   -0.5860    0.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2077   -0.1282   -1.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1391    2.2464   -0.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5323    1.8746    0.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7171    1.6164   -1.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788    2.6457   -0.5705 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4916   -2.2900   -0.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2139   -1.0667    0.9243 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1985    0.4768    0.7411 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