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
   -3.6063    0.8951   -1.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0253   -0.4551   -0.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2970   -1.0159    0.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8452   -1.2706    0.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9639   -0.1025    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4645   -0.6395    0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4527    0.4666   -0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7611   -0.0536   -0.1743 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8863    0.7036   -0.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7260    1.9269   -0.6295 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2347    0.1613   -0.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2437    0.9736   -0.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1014    0.8674   -2.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5528    1.5045   -1.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0752    1.4464   -0.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1385   -0.4341   -0.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9725   -1.1476   -1.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4843   -0.3503    1.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8060   -1.9864    0.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5237   -1.7259    1.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6331   -2.1183   -0.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1749    0.2457   -0.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1166    0.6890    0.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5085   -1.3926   -0.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7409   -1.0735    1.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3343    1.3381    0.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276    0.8012   -1.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4090   -0.9111   -0.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0587    2.0168   -0.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2688    0.6408   -0.7076 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