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
3.2311 -1.7739 -0.7461 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3256 -0.7471 -0.7462 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1413 0.3294 0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9798 1.2210 0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6064 0.6219 0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6597 1.8429 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7822 1.4556 0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1579 0.5245 -0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5037 0.1461 -0.9119 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0606 -0.5461 0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3274 -0.8474 1.1170 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4681 -0.9036 0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9974 -1.5601 1.1002 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3086 -0.5370 -1.0575 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6071 -1.7125 -1.6763 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7279 -2.8065 -0.7665 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6432 -1.7662 0.1806 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3195 -1.2549 -0.6262 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3600 -0.3360 -1.7906 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2311 -0.0980 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0614 1.0023 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0218 1.8222 -0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0244 1.9825 0.9858 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4024 0.0384 1.1208 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3940 -0.0032 -0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8929 2.3251 -0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9439 2.4789 0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1076 1.1077 1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3577 2.4072 -0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5608 -0.4198 -0.9175 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9496 1.0128 -1.9102 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0403 -1.8278 1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3833 -1.8262 1.9422 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0137 -1.1768 -1.9147 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3813 -0.7054 -0.8289 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1732 0.5300 -1.3408 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