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
-5.3348 0.9078 0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0727 -0.2000 -0.8201 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5828 -0.5603 -0.8123 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1461 -1.0220 0.5397 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6881 -1.3837 0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8061 -0.2155 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6656 -0.6192 0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5382 0.5682 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9094 0.2204 -0.1311 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9212 1.1072 -0.4295 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6005 2.2812 -0.7361 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3383 0.7289 -0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2497 1.6279 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7842 -0.6336 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1851 0.5495 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3529 1.2903 0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5704 1.6939 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6985 -1.0675 -0.5555 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3635 0.1493 -1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3679 -1.3368 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0684 0.4021 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7389 -1.8988 0.8406 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2723 -0.1830 1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4498 -1.7431 1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5438 -2.2431 -0.1288 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0169 0.5895 0.9193 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0800 0.1698 -0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9398 -1.0000 1.2049 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7946 -1.4017 -0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3014 0.7850 -1.2339 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3106 1.4535 0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2833 1.3540 -0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9389 2.6445 -0.9608 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9576 -1.3660 0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5360 -1.0318 -0.7587 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2694 -0.6170 0.9456 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