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
-5.6268 -0.1380 0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9606 0.2114 1.3733 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5440 -0.3645 1.3584 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8383 0.2779 0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4099 -0.2086 0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8227 0.5051 -1.1428 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5920 0.1122 -1.3934 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5259 0.4146 -0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8115 -0.0155 -0.6500 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8807 0.1398 0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6279 0.6647 1.3370 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1986 -0.2921 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3975 -0.8279 -1.3479 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3182 -0.1178 0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3242 0.5278 -0.7676 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3782 -1.1808 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7313 -0.0568 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5611 -0.2356 2.1743 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9424 1.3151 1.4509 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6330 -1.4504 1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0122 -0.1460 2.2908 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3745 -0.0819 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8449 1.3666 0.2419 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8028 0.0880 0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3459 -1.2866 -0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9051 1.6104 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4205 0.1912 -2.0287 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9408 0.6722 -2.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6146 -0.9633 -1.6622 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5920 1.5333 -0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2012 -0.0426 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3995 -1.1545 -1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5495 -0.9440 -2.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0932 -0.8907 0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9483 -0.1079 1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7871 0.8754 0.5934 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