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
   -5.1154    0.3311    0.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6809    0.2438    1.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8153   -0.0292    0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3496   -0.1326    0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5703   -0.3997   -0.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8976   -0.5398   -0.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538    0.5974   -0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0404    0.3863    0.0349 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8190    0.1313   -1.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3054    0.0832   -2.2249 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2601   -0.0910   -0.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8840   -0.0602    0.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1867    0.9532   -0.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5171   -0.6726    0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7509    0.7452    1.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5219   -0.5481    2.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4084    1.2023    1.7685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9559    0.8015   -0.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1867   -0.9383   -0.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2922   -1.0116    1.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1035    0.7715    1.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9647   -1.3457   -1.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8161    0.3887   -1.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2927   -0.8144   -1.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1211   -1.4406    0.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276    0.9685    0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5556    1.5110   -0.7347 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8326   -0.2866   -1.8481 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9410   -0.2194    0.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3048    0.1368    1.0849 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