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
   -4.5397   -1.0885   -1.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4739    0.0971   -0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1723    0.0775    0.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9800    0.1408   -0.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880    0.1198    0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5212    0.1825   -0.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7402    0.1563    0.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9439    0.2125   -0.3558 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1870    0.2012    0.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2113    0.1378    1.4950 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4390    0.2565   -0.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5908    0.2405    0.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1288   -1.9873   -0.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8875   -0.8919   -1.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5760   -1.2682   -1.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3378    0.1387    0.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4869    1.0639   -0.7486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1114    0.9771    1.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1309   -0.8111    1.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9400   -0.7476   -1.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9812    1.0402   -0.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6152   -0.7658    1.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6608    1.0173    1.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5020    1.1717   -0.9883 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5183   -0.6340   -1.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6721    1.0032    1.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7901   -0.8137    0.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4502    0.3102   -1.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5463    0.2776   -0.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5981    0.1854    1.2320 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