Monomers
Octyl methacrylate
Identifiers
IUPAC name
octyl 2-methylprop-2-enoate
InchI
InChI=1S/C12H22O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h2,4-10H2,1,3H3
InchI Key
NZIDBRBFGPQCRY-UHFFFAOYSA-N
SMILES
CCCCCCCCOC(=O)C(=C)C
Canonical SMILES
CCCCCCCCOC(=O)C(=C)C
Isomeric SMILES
CCCCCCCCOC(=O)C(=C)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H22O2
Heavy Atom Count
14
Molecular Weight
198.306
Exact Molecular Weight
198.162
Valence Electrons
82
Radical Electrons
0
tPSA
26.3
MolLogP
3.4662
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
36 35 0 0 0 0 0 0 0 0999 V2000
-4.8686 0.7309 -1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9507 -0.2997 -0.7087 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5928 0.3164 0.5791 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7282 -0.4301 1.4927 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3247 -0.6518 1.0953 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0115 -1.3621 -0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5216 -1.5927 -0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1892 -0.2536 -0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6083 -0.4253 -0.1855 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3718 0.7488 -0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8062 1.8490 -0.0646 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8223 0.6899 -0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4029 -0.4795 -0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6031 1.9668 -0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8432 0.6438 -0.9442 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8320 0.4866 -2.4877 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4749 1.7443 -1.1817 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1691 -0.6214 -1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6246 -1.2163 -0.5718 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5321 0.5875 1.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1853 1.3568 0.3496 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6811 0.0884 2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1404 -1.4666 1.7212 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8107 -1.1234 1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8519 0.3992 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1135 -0.6202 -1.0376 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5311 -2.2957 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6986 -2.1454 0.7839 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8125 -2.2063 -1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8097 0.4005 -0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0328 0.1807 0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8200 -1.3721 -0.3102 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4723 -0.5301 -0.3166 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6560 2.2516 0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5957 1.8611 -0.6152 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0436 2.7897 -0.6533 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 2 0
10 12 1 0
12 13 2 3
12 14 1 0
1 15 1 0
1 16 1 0
1 17 1 0
2 18 1 0
2 19 1 0
3 20 1 0
3 21 1 0
4 22 1 0
4 23 1 0
5 24 1 0
5 25 1 0
6 26 1 0
6 27 1 0
7 28 1 0
7 29 1 0
8 30 1 0
8 31 1 0
13 32 1 0
13 33 1 0
14 34 1 0
14 35 1 0
14 36 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers