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
    3.9099    0.6366    0.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875    1.2670    0.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3752    0.7568   -0.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1398   -0.7158   -0.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9951   -1.0545   -0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3167   -0.4215   -0.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3608   -0.8729    0.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6091   -0.2925    0.1775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7430   -0.5488    0.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5814   -1.3094    1.9342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0389    0.0292    0.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1746    0.8230   -0.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7636    0.7333    0.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7757   -0.4321    1.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1526    1.1891    1.9201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8337    1.1824    1.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174    2.3603    0.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4959    1.2733   -1.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2506    1.0097   -1.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0528   -1.1946   -0.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9884   -1.1351   -1.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8251   -2.1712   -0.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2014   -0.7486    0.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2270    0.6626   -0.5215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5826   -0.7726   -1.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0535   -0.4409    1.5075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3902   -1.9579    0.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8880   -0.1845    1.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0978    1.2800   -0.7199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3010    1.0497   -1.0570 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