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
-3.2614 -0.6489 1.7722 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0541 -1.5796 0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0713 -1.0550 -0.7319 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0670 -0.0718 -1.1642 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0140 1.2428 -0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9606 2.1581 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4222 1.5771 -0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8908 1.2816 0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1810 0.7625 0.3669 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5315 -0.4129 -0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6233 -1.0957 -0.7681 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9373 -0.8921 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2010 -2.0321 -0.8518 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9524 -0.0334 0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8226 0.2790 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3602 -0.3843 2.3617 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9418 -1.1694 2.5351 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0707 -2.1100 0.8055 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8452 -2.3842 0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1008 -0.6539 -0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9740 -1.9520 -1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1424 0.1138 -2.2858 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0475 -0.5718 -1.0916 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9950 1.7393 -0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8386 1.0735 0.6382 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1879 2.3533 -2.0914 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9625 3.1345 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5185 0.6733 -1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1635 2.3045 -1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1811 0.6053 0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9771 2.2371 1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3966 -2.5882 -1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1920 -2.4267 -0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6682 1.0172 0.1932 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9180 -0.2672 1.4937 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9632 -0.2233 -0.0041 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