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
   -3.0230    1.3189   -0.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4847    0.1164    0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4991   -0.6668    0.9537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3744   -1.3150    0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350   -0.4159   -0.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -1.2157   -1.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6429   -0.3246   -1.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2465    0.6501   -1.0416 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0248    0.3755    0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2340   -0.8250    0.3498 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6441    1.3889    0.8931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3856    1.1107    1.9279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8483    2.0997   -0.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0261    1.1650   -1.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1198    1.8126   -0.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9963   -0.5524   -0.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3146    0.3836    0.9204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0935   -1.4451    1.5328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0405   -0.0381    1.7885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7245   -2.1391   -0.4465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7577   -1.9116    1.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9637    0.1399   -1.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0280    0.2973    0.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2387   -1.8155   -0.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2372   -1.9037   -1.8593 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3791   -0.9597   -2.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1023    0.2398   -2.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4530    2.4385    0.6146 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5696    0.0865    2.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8154    1.9049    2.5159 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