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
-7.9019 2.5820 -0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0522 1.4238 -1.2649 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6409 1.6349 -0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6903 0.5718 -1.3066 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9962 -0.8116 -0.8477 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0167 -1.0227 0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8703 -0.7264 1.4577 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5688 -1.4240 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8512 -1.2308 -0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5412 -2.0209 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3765 -1.5993 1.0612 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6576 -2.4257 0.9771 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3554 -2.2380 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7184 -0.8010 -0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6465 -0.3694 0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0091 1.0671 0.3567 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9187 1.5623 1.4363 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2036 0.7619 1.4813 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9182 0.8251 0.2733 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4242 1.9496 -0.3162 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2484 3.0481 0.2584 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1543 1.9379 -1.5731 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3471 0.7974 -2.1874 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4212 2.8937 0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9373 2.2105 -0.5813 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8543 3.4155 -1.4477 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1847 1.4655 -2.3614 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4797 0.4680 -0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5460 1.8322 0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3002 2.5938 -1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6284 0.8639 -1.1624 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8079 0.5589 -2.4333 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1082 -0.9537 -1.1695 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5084 -1.5661 -1.4608 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9633 -0.5581 1.0536 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2517 -2.1355 0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1872 -1.0437 2.5169 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7141 0.3859 1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8868 -1.0822 2.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7582 -2.5069 1.5005 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3724 -1.5512 -0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5412 -0.1500 -0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0727 -1.7404 -1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7303 -3.0933 -0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5875 -0.5298 1.0398 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0696 -1.8102 2.0728 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2894 -3.4951 1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2724 -2.2552 1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 -2.8054 -0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7308 -2.5802 -1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8067 -0.1488 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2635 -0.6262 -1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5458 -1.0156 0.4929 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.4759 1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5377 1.2147 -0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0933 1.6830 0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1897 2.6126 1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4255 1.5460 2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8589 1.1353 2.3085 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9789 -0.2891 1.7243 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5234 2.8569 -1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9697 -0.1109 -1.7647 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8850 0.7740 -3.1168 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