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
-9.3771 0.7069 0.7992 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2661 -0.2542 0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8012 -0.0724 -0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6989 -1.0027 -1.3167 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4615 -0.8527 -0.4766 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8468 0.4989 -0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5914 0.6030 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5358 -0.3663 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3390 -0.2475 0.8385 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7737 1.1395 0.7543 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4171 1.2737 1.6403 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5041 0.3105 1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9440 0.5353 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0241 -0.4463 -0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1985 -0.2823 0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3384 -1.2197 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8566 -1.0272 -1.3662 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3448 0.3787 -1.4971 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3819 0.6619 -0.5817 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5858 0.0245 -0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8592 -0.8942 -1.3309 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5683 0.4150 0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7232 -0.2088 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6622 1.2505 -0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9667 1.4851 1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2551 0.2423 1.2575 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3857 -0.1281 1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6594 -1.2757 0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6887 -0.3629 -1.5868 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6140 0.9880 -1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5009 -0.9257 -2.3948 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0746 -2.0443 -1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7658 -1.6499 -0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6781 -1.0930 0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5095 0.7918 -1.5551 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5444 1.2586 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9083 0.5001 1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2388 1.6605 0.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1876 -0.1154 -1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9038 -1.4116 -0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5957 -1.0469 0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7537 -0.3678 1.8813 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5656 1.8884 1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5887 1.3771 -0.3102 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7593 2.3350 1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0554 1.0848 2.6872 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1720 -0.7325 1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3639 0.5167 1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3196 1.6002 -0.2321 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0662 0.4239 -0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5718 -1.4607 -0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2450 -0.2806 -1.6009 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8838 -0.5943 1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5358 0.7672 0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1658 -0.9913 0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0607 -2.2696 0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1137 -1.3077 -2.1392 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7052 -1.7251 -1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7057 0.4949 -2.5602 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5427 1.1338 -1.2895 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3414 1.2272 1.1842 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9345 -0.9899 -0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4499 0.0735 1.2351 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