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
-9.1386 -0.8733 1.3802 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8455 -1.0379 0.5797 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7510 -1.2233 1.6021 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3867 -1.4118 0.9635 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9638 -0.2518 0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6195 -0.4499 -0.5024 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5650 -0.6321 0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1930 -0.8226 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8075 0.3629 -0.9323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 1.6273 -0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3626 2.8173 -0.9506 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9785 2.6759 -1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0921 2.5065 -0.5896 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3798 2.3768 -1.3655 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5797 2.2014 -0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5095 0.9765 0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4015 -0.2939 -0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5667 -0.4952 -1.3402 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8081 -0.5772 -0.6818 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1256 -1.5417 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2484 -2.4165 0.5484 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4120 -1.5983 0.9163 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6707 -2.5342 1.8021 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7711 -0.1565 0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9553 -0.4290 2.3678 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6042 -1.8724 1.4226 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6356 -0.0697 0.0441 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8808 -1.8980 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7408 -0.2740 2.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9742 -2.0599 2.2756 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6404 -1.6577 1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4770 -2.3393 0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9483 0.6630 0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7450 -0.0297 -0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4221 0.4456 -1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6836 -1.3066 -1.2054 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5682 0.2242 1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7391 -1.5364 1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2437 -1.7090 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4687 -0.9450 0.7312 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 0.4805 -1.7855 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2140 0.1727 -1.3185 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0140 1.5108 0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7383 1.8634 0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1305 3.0201 -1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3627 3.7069 -0.2642 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1319 3.5694 -2.2409 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9221 1.8125 -2.3021 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8733 1.5393 -0.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0722 3.3677 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5214 3.3206 -1.9315 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2555 1.5691 -2.1024 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4646 2.0952 -1.1441 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7473 3.0983 0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4512 0.9123 0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6802 0.9832 1.0996 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3361 -1.1288 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4813 -0.2827 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3581 -1.4313 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6128 0.3082 -2.1151 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1684 -0.8735 0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6227 -2.5964 2.3078 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9279 -3.2817 2.0558 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