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
-7.3420 3.0319 -1.7458 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8316 1.6109 -1.6244 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1958 1.4350 -0.2664 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6652 0.0223 -0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6220 -0.2968 -1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1373 -1.7039 -0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5378 -1.8518 0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3896 -0.8939 0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3384 -1.1954 -0.4116 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1439 -0.2729 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8431 -0.6342 -1.3562 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3350 -2.0097 -1.3108 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9683 -2.5523 -0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1914 -2.0549 0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4422 -0.7927 1.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3440 0.5301 0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2222 0.7593 -0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6547 0.5647 -0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9100 1.5232 0.7558 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1442 1.5876 1.3538 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0566 0.7852 0.9817 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4065 2.5593 2.3982 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5894 2.6111 2.9617 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0832 3.1543 -2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8315 3.3644 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4675 3.6892 -1.9333 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6620 0.9096 -1.7278 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1212 1.4365 -2.4654 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0037 1.5589 0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3756 2.1407 -0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1767 -0.0724 0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4750 -0.7276 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1087 -0.2856 -2.1379 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7978 0.4487 -1.0916 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4319 -2.0048 -1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0495 -2.3899 -0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1307 -2.9212 0.4713 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2791 -1.7891 1.2724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9328 -1.0432 1.6488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7099 0.1619 0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9715 -2.2333 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7121 -1.0387 -1.4388 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3554 -0.3918 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4288 0.7910 -0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5382 0.1753 -1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1907 -0.6192 -2.3583 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0255 -2.1266 -2.2317 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4584 -2.6856 -1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1732 -3.6906 -0.3609 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1635 -2.7330 0.7023 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4808 -2.8789 1.2647 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0494 -2.2548 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5117 -0.8503 1.5843 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8359 -0.7433 2.1046 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3813 0.9911 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8222 1.2520 1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0539 1.7809 -1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9114 -0.0119 -1.4525 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8073 -0.4604 0.0894 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2856 0.8060 -1.1573 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6319 3.2373 2.7108 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7691 3.3370 3.7349 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3998 1.9556 2.6858 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