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
   -1.3428   -3.9088    1.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0362   -2.7619    0.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3634   -1.4301    1.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0866   -0.3175    0.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4582    0.9959    0.8284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0156    1.1097    0.4456 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1613    0.9193   -1.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4993    1.0145   -1.4643 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3095    2.1281   -1.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    3.1416   -0.7531 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6900    2.1667   -1.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4031    3.2531   -1.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2390   -3.8554    1.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6368   -3.9873    2.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7267   -4.8420    1.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0225   -2.8865   -0.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0812   -2.7603    1.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4725   -1.2486    2.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3027   -1.4379    0.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0581   -0.5521   -0.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1592   -0.3260    0.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5792    1.1834    1.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0085    1.7765    0.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5665    0.3769    1.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108    2.1370    0.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1438   -0.1493   -1.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5279    1.5339   -1.6292 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1476    1.3192   -2.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4198    3.3040   -1.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9532    4.1041   -1.1259 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