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
   -5.0328   -0.3693    0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5897   -0.3560    0.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8643    0.8741    0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4180    0.8613    0.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6639   -0.3189    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7829   -0.3637    0.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5439    0.8370   -0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8888    0.8506    0.3129 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7969   -0.1096   -0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4114   -1.0616   -0.7889 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1972   -0.0196    0.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0975   -0.9010    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6135    0.4882    0.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1163   -0.4388   -0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4767   -1.3113    0.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5080   -0.4103    1.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1158   -1.2350    0.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9306    0.8488   -1.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3113    1.8051    0.4666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9509    1.8027    0.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3482    0.9047    1.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6819   -0.3111   -1.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1001   -1.2885    0.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8440   -0.4594    1.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2932   -1.2780    0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0351    1.7464    0.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4186    0.9349   -1.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4767    0.8167    0.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8261   -1.7399   -0.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1098   -0.7987    0.3655 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