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
-4.4799 -0.2795 -1.5572 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0798 0.3428 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5057 -0.0905 0.9363 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1059 0.2660 1.1808 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0911 -0.2607 0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7300 0.1998 0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4005 -0.2738 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6837 0.2279 0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8218 -0.1427 -0.2081 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0845 0.2360 0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1350 0.9167 1.2802 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3008 -0.1387 -0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2077 -0.8485 -1.6128 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6038 0.3234 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3748 -0.5927 -2.2099 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9309 0.4155 -2.2299 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9659 -1.2142 -1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1933 0.1832 -0.3435 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8777 1.4500 -0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6592 -1.2162 1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1220 0.3428 1.7951 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9579 1.4040 1.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7551 -0.0326 2.2134 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0975 -1.3590 0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1844 0.1047 -0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5601 -0.2097 1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6743 1.3022 0.8537 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3404 0.1676 -1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4315 -1.3669 -0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6884 -0.1420 1.5692 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6195 1.3470 0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2384 -1.1495 -1.9601 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0816 -1.1342 -2.1696 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8792 -0.3243 0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3978 0.3162 -0.7285 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4307 1.3397 0.4475 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