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
-8.3835 -1.8654 0.7488 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0994 -1.0385 0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7222 -0.9530 -0.8099 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4674 -0.1540 -1.0392 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3177 -0.7739 -0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9987 0.0086 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1234 1.3913 -0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9275 2.2322 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3294 2.5660 -1.3938 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7375 1.5578 -2.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3610 0.7970 -1.5667 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4653 1.7002 -1.1032 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5399 0.8810 -0.4338 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9800 0.1647 0.7398 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0076 -0.6753 1.5026 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0891 0.2069 2.0249 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1475 -0.4885 2.7843 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9800 -1.5225 2.1485 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8064 -1.2173 1.1043 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6017 -0.8114 -0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4385 -0.6544 -0.5680 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6904 -0.5277 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9635 -0.6533 -0.7968 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8723 -1.6936 1.7185 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0685 -2.9261 0.5957 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0197 -1.5714 -0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3173 -1.4619 1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3189 -0.0176 1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5696 -1.9962 -1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5463 -0.4538 -1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2071 -0.0980 -2.1105 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6869 0.8884 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1342 -1.7731 -0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4453 -0.9110 0.7596 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2434 -0.5856 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8406 -0.0323 -1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5212 1.3885 1.0358 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9434 1.8943 -0.6622 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1464 3.2104 0.4626 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1394 1.6935 0.5537 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4975 3.3473 -1.2291 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0716 3.1602 -2.0577 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1964 2.1601 -3.1326 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3857 0.8755 -2.7978 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7019 -0.0119 -2.2183 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1528 0.3845 -0.6469 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0578 2.4415 -0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8780 2.3226 -1.9349 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9021 0.1593 -1.2303 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4380 1.5054 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4123 0.7958 1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2253 -0.5782 0.3276 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3056 -1.4829 0.8373 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4415 -1.0420 2.3968 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5330 0.9197 2.7498 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5303 0.9210 1.3126 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8746 0.2772 3.2238 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6538 -0.8756 3.7395 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6768 -1.9008 2.9828 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3869 -2.4795 1.9556 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4212 -0.2078 -2.0906 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7024 -0.4326 -1.5338 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2189 -0.9837 0.2200 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