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
-7.4018 2.6093 -0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2215 1.5500 0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1112 0.1895 -0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7912 -0.4849 -0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6792 0.1821 -0.9863 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4194 -0.6876 -0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9602 -0.9270 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7429 -1.7795 0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6073 -1.1384 -0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3650 -2.0485 -0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7759 -1.4038 -0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1667 -0.0616 -0.3382 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3126 0.5563 -1.1014 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5489 -0.2928 -1.0843 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0767 -0.5505 0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3267 -1.4208 0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9736 -1.7493 1.4373 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5063 -0.6879 2.3124 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5258 0.1133 1.9023 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6186 1.0456 0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6377 1.3351 0.2399 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8788 1.7634 0.7081 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9634 2.6826 -0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5542 2.9949 0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0294 3.5565 -0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1087 2.3560 -1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0538 1.5569 1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3053 1.8757 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4756 0.2734 -1.3757 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8523 -0.5238 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5499 -0.7319 0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9369 -1.4915 -0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3622 1.1366 -0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8812 0.4030 -2.0373 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5439 -1.6330 -1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5941 -0.1001 -1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7477 -1.4389 1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7279 0.0377 1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0175 -2.7566 0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4410 -2.0521 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8135 -0.9079 -1.2708 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3550 -0.1987 0.3074 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0988 -2.2215 0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5696 -3.0248 -0.6179 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4223 -1.3007 -1.9753 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6212 -2.1063 -0.9533 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2963 0.6358 -0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3107 -0.1224 0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9861 0.6512 -2.1604 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5427 1.5720 -0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4395 -1.2463 -1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3377 0.2798 -1.6333 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2270 0.3421 0.9004 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3699 -1.2024 0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0009 -2.4252 -0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0466 -1.0554 -0.5876 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8742 -2.4028 1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2888 -2.4575 2.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8736 -1.2243 3.2627 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6578 -0.0546 2.7464 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7297 1.5223 1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1114 2.9428 -0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8698 3.2277 -0.4379 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