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
-7.4811 2.6660 -0.8116 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3899 1.6820 -1.2668 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9552 0.3164 -1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9968 -0.7262 -1.7227 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9267 -1.0761 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9773 -0.0854 -0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8789 -0.7115 0.6244 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0499 -1.7125 -0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9412 -2.3719 0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2543 -1.5893 0.9929 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0397 -0.4072 1.8382 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3724 0.2470 2.2704 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2343 -0.6841 3.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5225 -0.0387 3.4929 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3460 0.4276 2.3426 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7405 -0.6707 1.4203 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5910 -0.1945 0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8567 0.8089 -0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5510 1.3068 -1.6592 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9959 0.5127 -2.6850 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7507 -0.7193 -2.6049 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7335 1.0625 -3.8430 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9790 2.3563 -3.9054 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3823 2.3891 -1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1471 3.6630 -1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6084 2.5324 0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4461 1.8856 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2620 1.9905 -2.3781 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7735 0.3461 -2.1068 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4812 0.0501 -0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5318 -1.7073 -1.9736 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5580 -0.3658 -2.7293 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2991 -1.9187 -1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3567 -1.6158 0.1298 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4722 0.5598 -0.9803 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4815 0.5970 0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4706 -1.2491 1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4194 0.1222 1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6843 -1.2129 -1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6992 -2.5676 -0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4200 -2.8321 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6392 -3.3430 0.0903 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8532 -1.3095 0.0475 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9763 -2.3304 1.4659 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3887 0.3959 1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6723 -0.4762 2.6541 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8560 0.5589 1.3311 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0660 1.1040 2.9043 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7047 -0.9587 4.0079 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5154 -1.5805 2.4792 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1054 -0.8178 4.0331 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3261 0.7770 4.2290 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2798 0.8723 2.7450 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7708 1.2360 1.8443 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3866 -1.3789 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8907 -1.3003 1.0502 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8392 -1.1109 -0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5158 0.2418 0.7336 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8593 0.3968 -0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6732 1.7076 0.0996 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0685 0.4301 -4.6250 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6320 2.9887 -3.1018 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5041 2.8318 -4.7055 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