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
-5.9334 1.1091 0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5116 0.7863 1.0394 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8523 -0.1043 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4345 -0.4401 0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8520 -1.3069 -0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4234 -1.7181 -0.4292 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5173 -0.5668 -0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9021 -1.1195 -0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8124 -0.0435 0.0648 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1564 -0.1961 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6173 -1.3568 0.4306 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9961 0.9738 0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5086 2.1823 0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4374 0.8063 0.6594 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3724 0.2347 0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5206 1.4680 1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8455 1.9328 -0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5539 0.2058 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9750 1.7340 1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8900 0.4493 -0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4787 -1.0086 -0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8934 0.5182 0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4364 -0.9802 1.3384 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4492 -2.2595 -0.7029 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9814 -0.8689 -1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3258 -2.3514 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0989 -2.3370 -1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2425 0.0706 0.5388 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5551 -0.0254 -1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9308 -1.7224 0.8853 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2599 -1.7454 -0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4404 2.3701 0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1048 3.0836 0.3369 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5577 -0.0071 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8845 1.7614 1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9051 0.4714 -0.2990 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