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
   -2.7823    1.2970   -1.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4693    0.8852    0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7973   -0.5636    0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9950   -1.4216   -0.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5245   -1.2019   -0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0585   -1.5317    0.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4333   -1.2727    1.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7424    0.0799    0.7338 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0590    0.4919    0.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9277   -0.3990    1.0599 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4813    1.8569    0.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7587    2.1600    0.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6835    0.7666   -1.7411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8754    2.3999   -1.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9148    1.0147   -2.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0825    1.5408    0.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4219    1.1370    0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8938   -0.6745    0.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5541   -0.8670    1.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197   -2.4978   -0.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2809   -1.1820   -1.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2105   -0.1604   -0.7228 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0094   -1.8864   -1.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6118   -1.0530    1.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1789   -2.6435    1.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172   -1.5436    1.9944 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9094   -1.9279    0.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825    2.6327    0.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1213    3.1687    0.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5124    1.3949    0.8164 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