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
   -4.9463    0.0958   -0.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4947    0.1780    0.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8131   -1.1482    0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3836   -1.0860    0.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6139   -0.1529   -0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580   -0.1201    0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5555    0.8321   -0.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9280    0.9874   -0.3971 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8164   -0.0661   -0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3679   -1.1986   -0.7269 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2515    0.1372   -0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6882    1.3445    0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3023    1.0881   -0.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5835   -0.1595    0.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0549   -0.6371   -0.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4250    0.6010    1.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9825    0.8756   -0.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8768   -1.5572   -0.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3107   -1.9115    0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3168   -0.7749    1.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -2.1036    0.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0328    0.8840   -0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6953   -0.4670   -1.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8265    0.3046    1.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2329   -1.1440    0.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0084    1.7745   -0.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931    0.3889   -1.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9491   -0.6783   -0.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0479    2.2143    0.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    1.4990    0.3940 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