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
-3.8836 1.6739 -0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3162 0.2593 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5905 -0.7228 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0734 -0.6690 -0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7282 -0.9964 0.8344 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2332 -0.9318 1.0226 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4364 -1.9209 0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9544 -1.8301 0.3447 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3111 -0.5018 0.0307 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6105 -0.0323 0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5297 -0.8004 0.4895 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8815 1.3369 -0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9210 2.1354 -0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2614 1.8533 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7620 2.3367 -0.3051 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2359 1.6570 -1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2793 2.0337 0.6932 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4029 0.1795 -0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1940 -0.0233 1.1536 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8818 -1.7647 -0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7669 -0.4417 -1.8488 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6888 -1.4699 -1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7035 0.3316 -0.8432 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2173 -0.2811 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0851 -2.0249 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1090 0.1033 0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0345 -1.0866 2.0852 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1466 -2.9542 0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 -1.6523 -0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4443 -2.5629 -0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1993 -1.9921 1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9084 1.7300 -0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0778 3.1770 -0.8763 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3285 2.9528 -0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8223 1.4117 -1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7819 1.4873 0.7813 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