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
   -3.5338    1.0261    1.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3381    0.3679    1.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7024    0.1295   -0.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5845   -0.5232   -1.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3266    0.3389   -1.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7152   -0.4168   -1.9103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    0.3336   -1.9846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5890    0.5760   -0.7347 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9622   -0.3843    0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859   -1.5884   -0.1282 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5557   -0.0372    1.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9079   -0.9614    2.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4565    0.4184    1.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3531    1.1111    2.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6970    2.0407    1.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5119    1.1131    1.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0984   -0.5783    1.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    1.0754   -0.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5592   -0.5745   -0.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3871   -1.4979   -0.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9416   -0.6887   -2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5289    1.3245   -1.5491 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0088    0.3838   -0.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8608   -1.4173   -1.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3197   -0.5628   -2.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6804   -0.2207   -2.6764 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8124    1.3155   -2.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7115    0.9976    1.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7887   -2.0283    2.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3418   -0.7122    3.3040 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