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
   -4.5774    0.0055   -0.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9199    1.0785    0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4701    1.2848   -0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7781   -0.0513    0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3220    0.0230   -0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3064   -1.3280   -0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7733   -1.3114   -0.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016   -0.3732    0.2938 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8507   -0.1508    0.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4486   -0.8502   -0.7332 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6050    0.8134    0.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8965    0.9726    0.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3032   -0.9978   -0.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6701    0.0981   -0.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1752    0.0752   -1.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8673    0.6823    1.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4853    2.0245    0.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4653    1.5720   -1.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0457    2.0918    0.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8816   -0.4161    1.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2956   -0.7881   -0.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2109    0.8515    0.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2913    0.2006   -1.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2309   -2.0439   -0.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1632   -1.6704    0.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1488   -2.3474   -0.3465 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8398   -1.0630   -1.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1172    1.4088    1.6743 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4754    1.6852    1.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4417    0.3908   -0.0116 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