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
4.7906 -2.0490 1.4816 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7968 -1.7634 0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9763 -0.5118 0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0220 -0.3238 -0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1427 0.8658 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2647 0.8349 0.9161 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5724 2.0645 0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4987 2.2994 -0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5121 1.4307 -0.4440 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6775 0.1693 -0.8586 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6632 -0.5081 -1.1440 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9985 -0.4788 -1.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0879 -1.7200 -1.4135 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2100 0.3009 -0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2485 -2.5244 2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2301 -1.1117 1.8654 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5365 -2.7558 1.0887 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0463 -2.5847 0.2778 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3239 -1.5480 -0.5707 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6839 0.3334 0.6809 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4695 -0.6606 1.6583 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6601 -0.1492 -1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4706 -1.2623 -0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5431 0.9960 -1.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8145 1.7589 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9174 0.9130 1.8516 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2689 -0.1206 0.9598 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1035 2.1843 1.9396 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1715 2.9343 1.0045 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9936 3.3304 -0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8856 2.4649 -1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0603 -2.1799 -1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1833 -2.2626 -1.6479 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2068 0.4454 0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0599 1.3424 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1267 -0.1538 -1.0421 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