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
   -3.3176    1.4775   -0.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5493    0.2892    0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9715   -0.9884   -0.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4683   -0.9430   -0.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7889   -0.6560    0.9591 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7080   -0.6077    0.8763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1411    0.4751   -0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5520    0.5773   -0.1530 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3897   -0.4148   -0.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8674   -1.5062   -0.9309 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8169   -0.1676   -0.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3245    0.9872   -0.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6104    2.2027   -0.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2701    2.0370   -0.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9664    1.2506   -1.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1584    0.5050    1.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6461    0.1089    0.4704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4084   -1.2871   -1.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1888   -1.8014    0.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1767   -1.9982   -0.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1579   -0.3153   -1.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1066    0.3739    1.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1352   -1.3723    1.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0072   -1.6248    0.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1163   -0.4881    1.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7968    1.4452    0.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6627    0.3713   -1.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4712   -0.9419   -0.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3742    1.1988   -0.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6926    1.8128    0.0757 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