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
-6.1133 0.7894 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1139 -0.1659 -0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7227 0.2227 0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6874 -0.7220 -0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3263 -0.2363 0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3088 -1.1720 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0616 -0.7635 0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4705 0.6180 -0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7573 0.8935 0.2393 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8327 0.1608 -0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6627 -0.7514 -1.0408 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1598 0.4490 0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3160 1.4066 1.1986 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3067 -0.3600 -0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6784 1.3569 1.2368 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0286 0.2448 0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3806 1.5393 -0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3481 -1.2065 0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1543 -0.1313 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5210 1.2682 -0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6478 0.1863 1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8474 -1.7496 0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6561 -0.7168 -1.4009 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4120 -0.2883 1.3185 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1772 0.8082 -0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4495 -2.2249 0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3507 -1.2325 -1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9402 -0.7253 1.2782 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8149 -1.5458 -0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3922 0.8048 -1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7190 1.3334 0.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4536 1.9642 1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2817 1.6616 1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1274 -1.4523 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3833 -0.1486 -1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2444 -0.1148 0.3488 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