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
    3.2260   -0.3434    0.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3409   -0.7433   -0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1209   -0.6232   -1.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4936    0.6961   -1.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8906    1.4141   -0.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690    0.6857    0.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3998    0.4770   -0.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5037   -0.2007   -0.1302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2653    0.2431    0.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9266    1.3563    1.4528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3926   -0.4824    1.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7503   -1.6300    0.9493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2155   -0.3882    1.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8979   -0.9923    1.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6139    0.7064    1.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1833   -0.1168   -0.9044 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7874   -1.7879   -0.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2809   -1.1528   -2.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3560   -1.3242   -0.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3227    1.3809   -1.8766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7977    0.6579   -2.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6308    1.6398    0.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5429    2.4320   -0.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0564   -0.2632    0.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6368    1.3300    1.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7738    1.4569   -1.0645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0646   -0.0878   -1.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9471   -0.0911    2.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2343   -2.0822    0.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5935   -2.1668    1.3541 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