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
   -4.8006   -0.4040   -0.7574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3406   -0.0068   -0.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0097    0.2362    0.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5590    0.6296    0.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6235   -0.4293    0.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7938    0.1334    0.6793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7357   -0.9065    0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0892   -0.6047    0.2670 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6334    0.4902   -0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8408    1.1965   -1.0650 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0602    0.8167   -0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8994    0.0928    0.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1730   -1.0069    0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4070    0.5362   -0.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8809   -1.0067   -1.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1572    0.8790   -1.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7659   -0.9085   -0.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1183   -0.7448    1.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6601    1.0104    1.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3531    1.6049    0.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3471    0.7294    2.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7790   -0.6713   -0.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7419   -1.3269    1.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8734    0.3040    1.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375    1.0472    0.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5074   -1.0462   -0.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5187   -1.9040    0.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4251    1.6780   -0.8203 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9401    0.3674    0.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5623   -0.7851    0.9552 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