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
   -4.0426    1.4561   -0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1144    0.0404   -0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9372   -0.7942   -0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6255   -0.2500    0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5348   -1.1787   -0.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7991   -0.6590   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9410   -1.5044   -0.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1490   -0.9936    0.0072 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6726    0.2573   -0.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0138    1.0207   -0.9983 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9408    0.7106    0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3722    1.9164   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3986    2.0666    0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7305    1.5260   -1.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0928    1.8651   -0.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0185   -0.4203   -0.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1907    0.0161    1.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0599   -1.8058   -0.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8669   -0.8779   -1.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6066   -0.2776    1.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4073    0.7674   -0.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7282   -2.2093   -0.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5917   -1.1303   -1.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8648    0.3931   -0.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8018   -0.6301    1.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9615   -1.6360   -1.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8099   -2.5164   -0.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4907    0.0335    0.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8111    2.5807   -0.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3181    2.2336    0.3859 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