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
4.0459 -0.2714 -1.9148 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6198 1.1275 -1.7256 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4133 1.4067 -0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3433 1.0255 0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3819 -0.4413 0.7501 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2269 -1.1914 0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1106 -0.6916 0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1678 -1.5106 0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4756 -1.2239 0.4069 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0999 0.0041 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3952 0.8946 -0.2461 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4627 0.2837 0.6633 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9693 1.4934 0.4854 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3509 -0.7365 1.2773 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2485 -1.0202 -1.9333 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5068 -0.3572 -2.9579 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8967 -0.5782 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4712 1.7371 -1.2946 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4417 1.6007 -2.7513 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5384 1.0146 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2425 2.5351 -1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2429 1.4971 0.9826 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4394 1.4610 1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3656 -0.6115 1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3236 -0.8721 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1744 -0.8966 -0.9397 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3178 -2.2802 0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0650 -0.8546 1.7874 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1465 0.3701 0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9925 -1.4285 -1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9688 -2.5749 0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3650 2.2944 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9658 1.7672 0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9240 -1.2002 0.4316 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7445 -1.5313 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0364 -0.2406 1.9982 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