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
8.5549 -1.6201 -1.1563 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3970 -0.6344 -1.1762 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9622 -0.4578 0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8179 0.5281 0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5905 0.0542 -0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5496 1.1461 -0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2149 1.5527 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6067 0.5818 1.9807 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2423 0.0467 1.4714 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3712 1.1998 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0243 1.0550 0.7903 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4694 0.2413 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3602 -1.2576 -0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1730 -1.7208 0.9951 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5774 -1.2678 0.8948 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4306 -1.8060 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7084 -1.0023 -0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8091 -1.4031 -1.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8387 -0.3542 -0.9441 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5224 0.8446 -1.5724 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3933 0.8638 -2.2017 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2869 2.0673 -1.6187 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8481 3.0420 -2.3362 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1642 -1.4557 -2.0777 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1964 -1.4908 -0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1010 -2.6471 -1.1732 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7406 0.3736 -1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6145 -1.0657 -1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8220 -0.0007 0.8067 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6819 -1.4330 0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1213 1.5450 0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5513 0.5334 1.4662 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 -0.9114 0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8355 -0.1688 -1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0187 2.0415 -0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6525 0.8503 -0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6196 2.5233 1.0083 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1727 1.9248 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2269 -0.3041 2.1735 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3926 1.0399 2.9842 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8731 -0.5916 2.2983 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5096 -0.4943 0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3812 1.8667 2.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8769 1.8288 0.3662 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6154 0.8390 1.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3971 2.1267 0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5151 0.4845 -0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8476 0.5228 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8480 -1.7049 -1.0982 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3621 -1.6320 -0.1192 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7301 -1.4224 1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1551 -2.8260 0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6826 -0.1421 0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0737 -1.6138 1.8532 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7105 -2.8795 -0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9625 -1.7802 -1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0775 -1.1076 0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4777 0.0994 -0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4436 -1.3892 -2.0951 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2797 -2.3293 -0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2044 2.1852 -1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3441 3.9936 -2.4245 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9234 2.9122 -2.9074 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