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
-5.3730 4.0502 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3775 2.9578 0.7669 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1887 1.5899 0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8543 1.6482 -0.6024 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5562 0.3399 -1.2978 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4937 -0.8298 -0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4312 -0.6823 0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3469 -1.8237 1.6237 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1185 -3.1917 1.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8698 -3.4571 0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6583 -2.8032 -0.9237 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6795 -3.1978 -1.5509 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8418 -2.8165 -0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9320 -1.3548 -0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1377 -1.1121 0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2494 0.3814 0.7692 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4475 0.6509 1.6513 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7351 0.2044 0.9948 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8943 0.8980 -0.2033 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0015 2.2562 -0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9516 2.9657 0.6781 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1646 2.8918 -1.6717 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2578 4.1957 -1.7310 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3589 4.4922 -0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1012 4.8523 -0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6365 3.5720 -1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4831 3.1447 1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2846 3.0029 1.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1853 0.8590 0.9477 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9919 1.4262 -0.6086 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0954 1.8951 0.1642 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9322 2.4260 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6478 0.3975 -1.9228 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4132 0.1573 -1.9928 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3510 -1.7373 -1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4743 -0.8913 0.1862 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4959 -0.2127 0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8692 0.2030 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3607 -1.8574 2.1692 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6558 -1.5945 2.4914 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1920 -3.9556 1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9632 -3.5379 0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7223 -4.5716 0.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0226 -3.2236 1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8464 -1.7434 -1.0153 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4102 -3.2840 -1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7396 -2.6553 -2.5157 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6422 -4.2749 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7637 -3.1192 -1.2199 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8257 -3.3831 0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0475 -0.9845 0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0031 -0.7760 -1.3509 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0263 -1.4819 -0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9479 -1.6521 1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3195 0.8962 -0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3153 0.6771 1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4478 1.7192 1.9281 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2637 0.0983 2.6059 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7783 -0.8912 0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5419 0.4346 1.7387 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2097 2.3150 -2.5746 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2183 4.8225 -0.8514 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3787 4.6755 -2.6865 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