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
   -5.0278    0.0089   -0.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7610   -0.6717   -0.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5314    0.0746   -0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2988   -0.6525   -0.9052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0279   -0.0159   -0.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1281    0.0620    1.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4787    0.7384    1.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4555   -0.0695    0.7045 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8158    0.1905    0.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1934    1.2264    1.3069 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8024   -0.6677    0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0782   -0.3565    0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8598    1.0767   -0.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7616   -0.0943   -1.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4886   -0.4948    0.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7756   -1.7158   -0.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7116   -0.7338   -2.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5714    1.1130   -0.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5870    0.0398    0.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3290   -0.6187   -2.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3616   -1.7105   -0.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0296    1.0169   -0.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8128   -0.6142   -0.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1187   -0.9120    1.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6320    0.7483    1.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4516    1.7737    0.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6267    0.8600    2.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5169   -1.5630   -0.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3640    0.5476    0.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8530   -0.9654   -0.2930 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