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
-5.2804 -1.2660 0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3053 -0.1092 0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9988 -0.4664 0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9935 0.6315 0.6924 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7017 0.8874 -0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6899 1.9928 -0.9088 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6254 1.6940 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2860 0.4609 -0.7965 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5157 0.3027 -0.0835 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3847 -0.7388 -0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1234 -1.5958 -1.2035 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6063 -0.8396 0.4223 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8875 0.0542 1.3376 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5490 -1.9481 0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1641 -1.1813 -0.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8004 -2.2458 0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6090 -1.1850 1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7408 0.8080 0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1381 -0.0664 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1744 -0.5874 1.9839 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6262 -1.4421 0.5224 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4474 1.5729 1.1071 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0910 0.4448 1.2983 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6512 1.2833 -1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4445 -0.0197 -1.3202 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5743 2.3219 -1.9501 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1187 2.8826 -0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5214 1.6019 0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2986 2.5493 -0.4651 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5915 0.6507 -1.8653 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6809 -0.4458 -0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2489 0.8925 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8060 -0.0360 1.8928 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3834 -2.4392 -0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6067 -1.6526 0.2051 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4341 -2.7659 0.9367 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