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
4.6683 -0.8378 0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3973 -1.0579 -0.6925 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8791 0.2800 -1.1141 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6080 1.1380 0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5937 0.4922 0.9669 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2932 0.2371 0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2550 1.5225 -0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4968 1.4832 -1.0938 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6368 0.9226 -0.5653 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9764 -0.3576 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1653 -1.2768 -0.5412 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2735 -0.7391 0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1811 0.1721 0.6124 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5908 -2.1607 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1215 0.1664 -0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4290 -1.5906 -0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4433 -0.8214 1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6229 -1.5912 -0.1218 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6087 -1.7118 -1.5796 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9856 0.1812 -1.7582 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6957 0.7756 -1.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3027 2.1623 -0.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5898 1.2201 0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9910 -0.4569 1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3479 1.1394 1.8675 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4431 -0.4717 -0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3917 -0.2397 0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3897 2.2532 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5492 2.0059 -0.9268 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2955 1.1040 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7611 2.5781 -1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1249 -0.0729 1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9419 1.2013 0.4023 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2905 -2.4600 1.6191 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6831 -2.3640 0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1158 -2.8252 -0.1727 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