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
-8.8626 -0.3419 0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9865 -1.1591 0.9784 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9140 -0.2726 1.5935 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0460 0.3343 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9874 1.2105 1.1117 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1087 1.8376 0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3884 0.8222 -0.7568 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5011 -0.0856 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8051 -1.0832 -0.8409 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9467 -0.4239 -1.8643 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1241 0.4410 -1.2557 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0445 -0.3637 -0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0739 0.6182 0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0533 -0.0799 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0401 0.9058 1.6220 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8362 1.5816 0.5584 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6377 0.6216 -0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5893 -0.1244 0.5775 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3901 -1.0499 -0.1183 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2532 -0.7179 -1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3467 0.4859 -1.4586 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0762 -1.7114 -1.8317 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9730 -2.9670 -1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8018 -0.8553 -0.1825 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0661 0.6372 0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2779 -0.1792 -0.8885 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5212 -1.9875 0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6472 -1.5608 1.7676 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4082 0.5105 2.1739 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2171 -0.8745 2.2076 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5523 -0.5035 -0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6661 0.9638 -0.1753 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4060 0.5944 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4819 2.0060 1.7261 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7667 2.4121 -0.6075 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3437 2.5130 0.5176 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1383 0.2156 -1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7948 1.4102 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1107 -0.5928 0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7123 0.5090 0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5679 -1.6961 -1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2347 -1.7657 -0.1755 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4232 -1.1556 -2.5234 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5564 0.1988 -2.5323 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7263 0.8509 -2.0925 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2693 1.2884 -0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5785 -1.1402 -0.9401 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4848 -0.8327 0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5910 1.1220 -0.6822 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5212 1.3648 0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5484 -0.8616 0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5056 -0.6287 1.8697 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6639 0.4795 2.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4575 1.7266 2.1386 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6258 2.2516 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1698 2.1851 -0.0842 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9792 -0.0398 -0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1851 1.2521 -1.0291 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3066 0.6428 0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1088 -0.5710 1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7528 -1.3933 -2.6318 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3072 -3.2582 -0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5592 -3.7162 -1.9727 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