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
   -4.9360    0.0652   -0.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4405   -0.1171   -0.7115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8789   -0.6751    0.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4137   -0.9163    0.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6061    0.3328    0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8859   -0.0383    0.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7306    1.1786   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    0.8715   -0.0306 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241    0.0198   -0.9652 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8590   -0.4973   -1.8513 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0472   -0.2948   -0.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8088    0.2456   -0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3093   -0.5663    0.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4724   -0.2214   -1.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1747    1.1480   -0.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0290    0.8620   -0.9808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2993   -0.8016   -1.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3769   -1.6622    0.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1581   -0.0595    1.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1100   -1.2686    1.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1419   -1.7420   -0.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8593    0.6647   -0.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7198    1.0913    1.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0944   -0.8016   -0.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1749   -0.4045    1.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3979    1.6527   -0.9898 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4844    1.9517    0.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4413   -0.9580   -1.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4173    0.9188    0.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8811    0.0221   -0.0151 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