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
4.9485 -1.3876 0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0282 -0.3270 0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7722 0.7744 -0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8658 1.7938 0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5308 1.2442 0.9337 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7608 0.6551 -0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5732 0.1220 0.2839 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3237 -0.4560 -0.8605 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5715 -0.9931 -0.5802 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5648 -0.2011 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3180 0.9970 0.1635 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8665 -0.7375 0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1605 -2.0082 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8920 0.1710 0.8138 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9588 -1.3538 0.7958 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0832 -1.1736 -0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5634 -2.4031 0.4531 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5655 0.1399 1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0841 -0.7453 1.2996 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2988 0.3657 -1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7092 1.2820 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3997 2.2645 1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6673 2.6222 -0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9406 2.1301 1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5697 0.5383 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3644 -0.1795 -0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6155 1.4353 -0.9913 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0779 0.9462 0.7848 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3248 -0.7236 0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3930 0.2871 -1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6928 -1.2900 -1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1431 -2.3879 0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4019 -2.6540 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4438 0.7583 1.6276 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8041 -0.3760 1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1751 0.8702 -0.0268 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