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
-4.3043 2.0845 -1.6346 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0128 0.7453 -1.5288 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2247 0.4642 -0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9139 -0.8263 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3668 -2.0730 -0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0497 -2.6325 0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6945 -2.8620 1.4512 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3756 -1.7188 2.3171 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0855 -1.0223 2.1503 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6356 -0.4520 0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2582 0.2186 1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2767 0.8306 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6104 1.4605 0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2487 2.1143 -0.9543 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5138 1.1709 -2.0737 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4239 0.0400 -1.7017 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7673 0.5453 -1.2541 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6759 -0.6134 -0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9187 -0.1417 -0.4818 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1442 0.6796 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1930 1.0716 1.3081 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4964 1.0924 0.9036 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4931 0.6786 0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5876 2.6217 -2.5818 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5899 2.6962 -0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2068 1.8861 -1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9881 0.8177 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3521 -0.0283 -1.9942 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3720 0.6369 0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0060 1.2622 0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2046 -0.8930 1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9765 -0.7467 -0.2927 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4106 -2.0996 -1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1369 -2.8869 -0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2917 -2.0902 -0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0301 -3.6738 -0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8635 -3.6440 1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5613 -3.4241 1.9495 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1852 -0.9432 2.3477 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3763 -2.0684 3.4164 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1071 -0.1857 2.9463 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2478 -1.6716 2.5929 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2009 0.3105 0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3351 -1.3091 0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4350 -0.5714 1.5066 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3557 0.9686 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3198 0.1630 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4035 1.6835 -0.3688 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3380 0.7193 0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5075 2.2422 1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1956 2.5758 -0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5543 2.9446 -1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5629 0.7410 -2.4599 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0429 1.7464 -2.8859 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0248 -0.5826 -0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5566 -0.6494 -2.5598 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6456 1.2211 -0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2562 1.0926 -2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8334 -1.2735 -1.7701 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2011 -1.2230 -0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6654 1.7497 1.7676 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3227 0.0383 -0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4871 0.9927 0.3938 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