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
-6.9242 1.6571 1.6441 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1967 2.8571 0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7660 2.8482 -0.5965 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3336 2.7193 -0.9137 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6834 1.4594 -0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2240 1.4166 -0.8696 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5776 0.1458 -0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5805 -0.0203 1.0444 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9416 -1.3225 1.4876 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4603 -1.3780 1.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1487 -2.6571 1.4552 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5737 -2.8470 1.1753 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0493 -2.8327 -0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9962 -1.5905 -1.0122 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7833 -0.4646 -0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2236 -0.7830 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9539 -1.0457 -1.4531 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4060 -1.3667 -1.0896 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9389 -0.2755 -0.4111 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0866 1.0028 -0.8442 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6905 1.2638 -2.0182 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6735 2.0452 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7818 3.2641 -0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7641 0.7098 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8443 1.4964 2.2844 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1391 1.8893 2.4007 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7206 3.7455 1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2965 3.1046 0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1197 3.8451 -1.0313 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3391 2.0873 -1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7364 3.6024 -0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2029 2.7616 -2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6235 1.5102 0.6922 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1609 0.5413 -0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2250 1.5252 -1.9756 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7297 2.3063 -0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0001 -0.7446 -0.9672 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5064 0.1892 -0.8148 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5736 0.0924 1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9475 0.7950 1.5019 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8777 -1.3018 2.5866 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4872 -2.1793 1.0883 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0027 -0.4561 1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5922 -1.4131 -0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0426 -2.8092 2.5658 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4091 -3.5424 0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1848 -2.0911 1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8651 -3.8434 1.6883 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4810 -3.6118 -0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0911 -3.2747 -0.2156 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5913 -1.7884 -1.9867 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0555 -1.2338 -1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7322 0.3844 -1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2706 -0.1192 0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6758 0.0567 0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3900 -1.6871 0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5309 -1.9117 -2.0158 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8916 -0.1896 -2.1422 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9572 -1.6568 -2.0067 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3481 -2.2493 -0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0143 1.8417 0.9805 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2137 4.0381 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4246 3.4735 -1.5234 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