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
5.5922 1.6156 -0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9393 0.5940 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4545 0.6920 -0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7074 -0.3027 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2166 -0.1759 0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4853 -1.1433 1.2813 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0065 -1.0443 1.0707 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4185 -1.3364 -0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8004 -1.2475 -0.5106 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4929 -0.0879 -0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8646 0.9643 0.0099 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9499 -0.0032 -0.4942 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6263 -1.0686 -0.8374 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6047 1.2854 -0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0618 1.5812 -1.8995 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4047 2.6328 -0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6538 1.4303 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1974 0.8049 1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3045 -0.4097 -0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1297 1.7031 0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2507 0.4479 -1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9540 -0.0642 1.7213 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0549 -1.3379 0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9087 0.8559 0.6742 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0452 -0.3133 -0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6730 -0.8489 2.3456 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7644 -2.1981 1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4213 -0.0924 1.3858 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5224 -1.8383 1.6926 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8842 -0.6887 -1.0794 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0462 -2.3843 -0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1312 -2.0065 -0.9969 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6891 -0.9984 -0.9597 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7081 1.1862 -0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4142 1.9498 -1.1598 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2178 1.8471 0.6029 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