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
-8.5007 0.7641 0.8915 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0189 -0.6088 0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5824 -0.5797 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6724 -0.0603 1.1194 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2217 -0.0283 0.6465 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0391 0.8445 -0.5341 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5632 0.8939 -0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0854 -0.4406 -1.3391 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7813 -0.6966 -1.9322 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4404 -0.2652 -1.2012 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6917 1.1793 -1.0928 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9081 1.6350 -0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0693 1.3641 1.0672 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1530 0.0697 1.7166 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2250 -0.8904 1.4108 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3679 -1.4367 0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5224 -2.4150 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8471 -1.7855 0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1396 -0.6878 -0.6016 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3026 0.0218 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1062 -0.3238 0.4395 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6171 1.1433 -1.3164 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7389 1.8001 -1.1542 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5969 0.8731 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0062 1.5767 0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3162 0.9776 1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0680 -1.2563 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6974 -1.0521 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5418 0.0354 -0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3155 -1.6204 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9993 0.9303 1.4467 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7131 -0.7738 1.9599 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9204 -1.0744 0.3816 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6032 0.2804 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3454 1.8776 -0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5655 0.3715 -1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4908 1.6020 -1.8022 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0073 1.3353 -0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8870 -0.8974 -2.0133 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1784 -1.1258 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7738 -0.2545 -2.9825 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7182 -1.8127 -2.1479 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4793 -0.8028 -0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3014 -0.7215 -1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1567 1.8198 -0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9299 1.5192 -2.1886 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8114 2.8006 -0.4151 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8207 1.4991 -0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1695 1.8979 1.5863 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 2.0171 1.5073 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2003 -0.5018 1.8685 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3527 0.3456 2.8501 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1823 -1.7594 2.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1991 -0.3885 1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4608 -2.0835 -0.1498 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5003 -0.6514 -0.7031 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5557 -2.7157 -1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3887 -3.3021 0.5325 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6263 -2.5498 0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9416 -1.5280 1.3219 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9417 1.4579 -2.0964 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4539 1.5112 -0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0077 2.6467 -1.7777 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