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
-5.5237 0.4617 1.0979 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5013 0.1638 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2910 -0.6811 -0.6879 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0470 0.0799 -0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8091 -0.7520 -0.6022 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6198 0.0664 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6928 -0.6289 -0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7794 0.3201 0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0627 -0.2092 -0.1363 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1513 0.5494 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9580 1.6869 0.7335 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5038 0.0448 0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6901 -1.1468 -0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6892 0.8562 0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7810 -0.1497 1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3108 1.5226 1.3312 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5490 0.2272 1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4044 1.1188 -0.9176 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3880 -0.4064 -0.7149 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2396 -0.8784 -1.7765 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2834 -1.6258 -0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0529 0.4299 0.7401 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0405 1.0130 -0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8238 -0.9584 -1.6808 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8943 -1.7011 -0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7080 0.3517 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6247 0.9903 -0.8147 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8621 -0.8786 -1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7904 -1.5419 0.2062 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5510 0.5276 1.1171 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6925 1.2875 -0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8510 -1.7414 -0.7212 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6781 -1.5450 -0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0151 0.4830 1.5017 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4221 1.9251 0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5026 0.7389 -0.2546 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