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
Resources
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
5.2838 -0.5078 -1.3652 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9939 0.2858 -1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1740 -0.0104 -0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9237 0.8257 -0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9989 0.6423 0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5511 -0.7742 1.1124 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3538 -0.9142 2.3083 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5600 -0.0363 2.1312 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2838 -0.3795 0.9557 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4300 0.3226 0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7765 1.2519 1.4063 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2258 0.0407 -0.5503 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9005 -0.9206 -1.3931 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4449 0.8363 -0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0197 0.0230 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1290 -1.5091 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7053 -0.5781 -2.3729 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4057 0.0057 -2.2473 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1880 1.3735 -1.3789 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8903 -1.0979 -0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7508 0.1887 0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2439 1.9069 -0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4316 0.6551 -1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5505 1.0131 1.8648 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0880 1.2890 0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0587 -1.1120 0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4273 -1.4601 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2487 -0.5689 3.1856 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6195 -1.9725 2.4769 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3531 1.0464 2.1512 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2198 -0.2108 3.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4826 -1.1447 -2.2748 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0187 -1.5508 -1.2494 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1852 1.6997 -1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2304 0.1916 -1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8606 1.1501 0.1464 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