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
-8.1289 0.1558 -1.2028 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1699 -1.0073 -1.1351 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2219 -0.7149 0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2126 -1.8372 0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2849 -1.5685 1.3212 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5369 -0.2889 1.1128 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7164 -0.3325 -0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9437 0.9344 -0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9740 1.2631 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1888 2.4967 0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6063 2.5915 -0.7757 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7124 1.6616 -1.0588 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4450 0.2296 -1.2519 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7514 -0.5134 -1.6049 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7564 -0.3530 -0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3000 -0.8730 0.8147 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3152 -0.6952 1.9034 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6100 -1.3759 1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3721 -0.9906 0.5945 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8780 0.2974 0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6129 1.1525 1.2748 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6756 0.6160 -0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9142 -0.3197 -1.6738 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7363 1.0567 -0.6933 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1039 -0.0952 -0.7253 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2741 0.4475 -2.2726 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5839 -1.0354 -2.0714 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6908 -1.9696 -0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8416 -0.6579 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7001 0.2067 -0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7913 -2.7856 0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6627 -2.0452 -0.7399 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5313 -2.3818 1.3893 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8925 -1.5250 2.2623 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8738 -0.0679 1.9986 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1963 0.6111 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4128 -0.5000 -1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0369 -1.2191 -0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6897 1.7422 -0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4090 0.8197 -1.3619 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3619 0.4176 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5941 1.4236 1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8825 3.3957 0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4981 2.5991 1.3684 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1205 2.5227 -1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9924 3.6870 -0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5153 1.7864 -0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2434 2.0633 -1.9755 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7381 0.1199 -2.1243 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0454 -0.3511 -0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4583 -1.5772 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1814 -0.1010 -2.5355 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1328 0.6738 -0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6207 -1.0321 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3547 -0.3372 1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0832 -1.9682 0.7697 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4342 0.3801 2.1926 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8464 -1.1743 2.8218 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3769 -2.4758 1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1958 -1.3721 2.6444 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0715 1.6050 -0.9631 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5307 -1.3091 -1.5272 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4951 -0.1056 -2.5478 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