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
6.6935 -3.8600 -1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6837 -2.4615 -0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8975 -1.5106 -1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8891 -0.1248 -0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2755 -0.1506 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2364 1.2362 1.2962 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4377 2.2007 0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0070 1.7857 0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2599 1.6429 1.5822 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8201 1.2175 1.3029 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0949 2.2048 0.4641 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3302 1.6797 0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0990 1.4923 1.4811 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4923 0.9348 1.1424 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2537 1.8747 0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6477 1.5660 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0523 0.4195 -0.8942 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7043 -0.9083 -0.3649 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2211 -1.9809 -1.1628 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5685 -2.1728 -1.3625 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3734 -1.3788 -0.8215 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9997 -3.2876 -2.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1436 -4.0995 -2.7438 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3333 -4.5061 -0.4587 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0551 -3.8129 -2.1195 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6596 -4.2462 -1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1738 -2.5754 0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7270 -2.1503 -0.3203 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8223 -1.8400 -1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3009 -1.4132 -2.3269 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9255 0.2836 -0.6206 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3422 0.5598 -1.3864 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2613 -0.5472 0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9432 -0.7556 1.3385 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2996 1.5842 1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8890 1.1191 2.3273 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4587 3.2223 0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9235 2.3328 -0.5015 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5276 2.5584 -0.3369 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9576 0.8261 -0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7097 0.7816 2.1496 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2203 2.5412 2.2008 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2903 1.1554 2.3021 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7615 0.1974 0.8773 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5141 2.3667 -0.5315 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0435 3.1446 1.0413 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3125 0.8006 -0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8453 2.4854 -0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6155 0.7315 2.1431 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2921 2.4287 2.0255 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0364 0.7185 2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2555 -0.0536 0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6539 2.1371 -0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2848 2.8872 0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1319 2.4885 -0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2743 1.5428 0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5372 0.5051 -1.9109 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1582 0.5419 -1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5846 -1.0388 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8528 -1.0183 0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0534 -3.4315 -2.3437 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0930 -3.9577 -2.5938 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4802 -4.9131 -3.3501 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