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
-5.0444 -1.0664 1.4452 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6648 -0.4658 1.2832 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9634 -1.1054 0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5758 -0.5295 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6088 0.9446 -0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2189 1.4971 -0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4902 0.8674 -1.6871 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8819 1.4071 -1.8982 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7311 1.2221 -0.8139 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0855 0.0013 -0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5944 -1.0222 -0.8041 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9736 -0.1568 0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5151 0.8875 1.4595 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2895 -1.5085 1.3696 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5045 -1.3310 0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9244 -2.0186 1.9993 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6943 -0.3919 2.0345 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1235 -0.6281 2.2149 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8141 0.6231 1.1084 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8721 -2.1887 0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5695 -0.9551 -0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9261 -0.7848 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1839 -1.0624 -1.0077 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1848 1.1637 -1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0632 1.4783 0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3534 1.1861 0.3952 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2153 2.5884 -0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5461 -0.2264 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0889 1.1042 -2.6036 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2592 0.9367 -2.8452 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8329 2.4946 -2.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3199 1.9081 1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1795 0.7801 2.3048 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0568 -1.5860 2.4546 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3854 -1.7550 1.2485 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7460 -2.3078 0.8668 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