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
-8.8771 -0.7248 -2.3149 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3449 -1.0607 -2.3024 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6719 0.2192 -2.0956 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2438 0.4186 -2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3113 -0.2392 -1.1428 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1846 -1.7048 -1.2638 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3623 -2.3695 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9507 -2.0234 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6297 -0.6843 0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0706 -0.6632 0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2713 0.6825 1.1609 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7906 0.8029 1.3028 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3079 -0.2216 2.2304 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7605 -0.2590 2.4491 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4981 0.8566 3.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5407 2.1811 2.4062 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0808 2.1447 0.9775 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4764 1.6045 1.0091 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0452 1.5513 -0.3068 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5066 0.8008 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4703 0.1271 -1.1221 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1037 0.7673 -2.6568 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5654 0.0461 -3.6018 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3509 -1.6618 -2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0663 0.1170 -2.9795 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1788 -0.5514 -1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3184 -1.7993 -1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1748 -1.5956 -3.2422 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1095 0.6942 -1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1245 0.9394 -2.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8114 0.1999 -3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0025 1.5387 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3293 0.1444 -0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2811 0.1531 -1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7290 -1.9720 -2.3052 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1935 -2.1953 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4460 -3.5083 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8561 -2.2336 0.7936 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3218 -2.2212 -0.9754 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5493 -2.7646 0.7411 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0261 -0.5516 1.5581 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8782 0.2092 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1403 -1.5169 1.2751 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3046 -0.8551 -0.3832 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2552 0.9438 2.0858 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0038 1.4348 0.3819 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1992 0.6017 0.2881 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9595 1.8150 1.6521 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8034 -0.1710 3.2419 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0408 -1.2371 1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9409 -1.1568 3.1539 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2708 -0.6459 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5856 0.5464 3.2242 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1320 0.9608 4.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3377 2.7750 3.0316 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6892 2.8367 2.4536 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1678 3.1998 0.5838 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4006 1.5997 0.3218 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1301 2.2768 1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4536 0.5600 1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9934 1.3412 -2.8524 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6806 -0.5240 -3.4057 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0058 0.0214 -4.5773 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