Monomers

Octadecyl acrylate

Identifiers

IUPAC name
octadecyl prop-2-enoate
InchI
InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h4H,2-3,5-20H2,1H3
InchI Key
FSAJWMJJORKPKS-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C=C
Canonical SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C21H40O2
Heavy Atom Count
23
Molecular Weight
324.549
Exact Molecular Weight
324.3028
Valence Electrons
136
Radical Electrons
0
tPSA
26.3
MolLogP
6.9771
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

 63 62  0  0  0  0  0  0  0  0999 V2000
   -8.8771   -0.7248   -2.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3449   -1.0607   -2.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6719    0.2192   -2.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2438    0.4186   -2.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3113   -0.2392   -1.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1846   -1.7048   -1.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3623   -2.3695   -0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9507   -2.0234   -0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6297   -0.6843    0.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0706   -0.6632    0.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2713    0.6825    1.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7906    0.8029    1.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -0.2216    2.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7605   -0.2590    2.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4981    0.8566    3.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5407    2.1811    2.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0808    2.1447    0.9775 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4764    1.6045    1.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0452    1.5513   -0.3068 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5066    0.8008   -1.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4703    0.1271   -1.1221 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1037    0.7673   -2.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5654    0.0461   -3.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3509   -1.6618   -2.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0663    0.1170   -2.9795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1788   -0.5514   -1.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3184   -1.7993   -1.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1748   -1.5956   -3.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1095    0.6942   -1.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1245    0.9394   -2.8736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8114    0.1999   -3.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0025    1.5387   -2.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3293    0.1444   -0.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2811    0.1531   -1.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7290   -1.9720   -2.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1935   -2.1953   -1.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4460   -3.5083   -0.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8561   -2.2336    0.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3218   -2.2212   -0.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5493   -2.7646    0.7411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0261   -0.5516    1.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8782    0.2092   -0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1403   -1.5169    1.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3046   -0.8551   -0.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552    0.9438    2.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0038    1.4348    0.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1992    0.6017    0.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9595    1.8150    1.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034   -0.1710    3.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0408   -1.2371    1.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9409   -1.1568    3.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2708   -0.6459    1.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5856    0.5464    3.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1320    0.9608    4.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3377    2.7750    3.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6892    2.8367    2.4536 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1678    3.1998    0.5838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4006    1.5997    0.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1301    2.2768    1.5893 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4536    0.5600    1.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9934    1.3412   -2.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6806   -0.5240   -3.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0058    0.0214   -4.5773 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  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  3
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  6 36  1  0
  7 37  1  0
  7 38  1  0
  8 39  1  0
  8 40  1  0
  9 41  1  0
  9 42  1  0
 10 43  1  0
 10 44  1  0
 11 45  1  0
 11 46  1  0
 12 47  1  0
 12 48  1  0
 13 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 16 55  1  0
 16 56  1  0
 17 57  1  0
 17 58  1  0
 18 59  1  0
 18 60  1  0
 22 61  1  0
 23 62  1  0
 23 63  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers