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
7.5732 -1.1781 -0.8381 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3280 -1.2764 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9193 -1.2727 1.0928 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0233 -2.3355 0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6937 -2.5072 -0.7811 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0033 -1.3766 -1.4594 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6693 -1.1194 -0.7453 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9222 0.0026 -1.3748 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6084 0.2350 -0.6835 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7542 0.5945 0.7555 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5641 0.8141 1.4134 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3074 1.9339 0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6535 2.1749 1.4424 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4097 3.2899 0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7118 3.0171 -0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5367 1.7825 -0.8698 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8773 1.8659 -0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6944 0.6227 -0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0946 -0.5461 0.0822 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7296 -0.7986 1.3906 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9624 0.1131 2.2302 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1093 -2.0559 1.7674 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8907 -2.9676 0.8549 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7521 -2.1741 -1.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5897 -0.6762 -0.9599 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8937 -0.5226 -1.3818 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8793 -2.1980 0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8531 -0.4070 1.1223 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4938 -0.2371 1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0001 -1.3984 2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4725 -3.3186 0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0639 -2.2985 1.2368 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5030 -2.8852 -1.4392 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9373 -3.3611 -0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6963 -1.7484 -2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5576 -0.4633 -1.6214 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0305 -2.0243 -0.7761 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8769 -0.9147 0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6780 -0.2870 -2.4243 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4932 0.9531 -1.4105 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0764 1.0724 -1.2002 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0504 -0.6745 -0.7695 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3281 1.5591 0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3688 -0.1472 1.3172 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1419 -0.1448 1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3832 1.0210 2.4989 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7134 2.8495 0.7685 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5782 1.6006 -0.2821 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2268 1.2294 1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4025 2.4489 2.4868 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7520 4.1923 0.8145 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2976 3.5255 1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7789 2.9222 -1.2487 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2669 3.8745 -1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6817 1.6409 -1.9416 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9682 0.9127 -0.4367 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4503 2.7099 -0.6226 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7433 2.0292 0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9324 0.4611 -1.4657 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6985 0.7969 0.0939 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8296 -2.2399 2.7915 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1707 -2.7812 -0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4313 -3.9092 1.1105 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