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
   -4.8813    1.1080   -0.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4047    1.0768   -0.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7327    0.2593    0.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2199    0.2048    0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6030   -0.6228    1.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8964   -0.7256    1.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2954   -1.3676   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6818   -1.4631   -0.1924 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5658   -0.4035   -0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1181    0.7509   -0.0758 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0172   -0.5808   -0.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8479    0.4409   -0.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3589    0.1376   -0.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3235    1.9513   -0.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0682    1.2838    0.7457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0430    2.1439   -0.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1242    0.6964   -1.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9497    0.7234    1.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1420   -0.7579    0.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8143    1.2176    0.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0274   -0.3254   -0.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7745   -0.0738    2.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0733   -1.6012    1.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2751    0.3227    1.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3205   -1.3537    2.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9325   -0.7835   -0.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8272   -2.3639   -0.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4359   -1.5805   -0.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4246    1.4302   -0.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9023    0.2557   -0.4456 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