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
-7.8899 1.8919 1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8139 0.5553 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3366 0.6270 -1.0142 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0457 1.2474 -1.2701 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8125 0.6990 -0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6195 0.6630 0.7642 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1966 0.1370 1.0577 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0789 -1.2464 0.5046 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6743 -1.7720 0.8613 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6760 -0.8866 0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7686 -1.3157 0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6172 -0.3255 -0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1193 -0.5566 -0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5406 -0.4436 1.3407 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9534 -0.6072 1.6593 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6699 -1.8517 1.4495 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8895 -2.4024 0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6761 -1.5054 -0.8125 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1311 -0.2687 -1.0895 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6537 0.7257 -1.8712 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7653 0.5091 -2.4035 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9920 1.9970 -2.1113 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5706 2.8848 -2.8704 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7548 1.7042 2.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9962 2.4857 0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8358 2.4354 0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3782 -0.1938 1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9442 0.2336 0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3145 -0.4336 -1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1323 1.1254 -1.6673 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8687 1.2465 -2.4113 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0970 2.3648 -1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9076 1.1899 -1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7316 -0.3727 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2587 -0.0319 1.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7315 1.6709 1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0767 0.0920 2.1567 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5438 0.8898 0.5707 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8642 -1.9283 0.8309 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0570 -1.2274 -0.6323 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6044 -2.8000 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6247 -1.8140 1.9572 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7865 -1.0176 -0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7274 0.1756 0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9054 -1.1320 1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9654 -2.3568 0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3291 0.6906 0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3311 -0.3822 -1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3321 -1.4605 -0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5673 0.3241 -0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8804 -1.1441 1.9618 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1857 0.5791 1.7012 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5038 0.2330 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1046 -0.2178 2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7095 -1.7155 1.9433 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2432 -2.6709 2.1329 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0171 -2.8355 -0.3935 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5964 -3.3365 0.1911 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6754 -1.3019 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9933 -2.0736 -1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0040 2.2118 -1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1561 3.8343 -3.0959 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5324 2.6591 -3.3118 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