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
   -4.1951    0.5224   -0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9128    1.0782    0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0325    0.0162    0.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6227   -1.0332   -0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -0.3949   -1.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3834    0.3284   -1.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3169   -0.6466   -0.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5316    0.0035    0.0052 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4785   -0.7913    0.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2525   -2.0150    0.8242 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -0.2254    1.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0209    1.0538    0.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8154    1.3884   -0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6977   -0.1114    0.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9042   -0.0908   -1.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3869    1.6636   -0.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1905    1.7940    0.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1290    0.4973    1.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5804   -0.3917    1.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4982   -1.5653   -0.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9874   -1.7698    0.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5723    0.2691   -2.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6217   -1.2334   -2.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1631    1.1494   -0.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8872    0.7255   -2.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6389   -1.4510   -1.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8860   -1.0718    0.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4821   -0.8360    1.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9636    1.4813    1.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2660    1.6565    0.4165 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