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
5.4193 -1.2665 -0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1210 0.0118 0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7217 0.4635 -0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7565 -0.6318 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3583 -0.2743 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8883 0.9773 0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5157 1.3207 -0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4465 0.2211 0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7784 0.6046 -0.1822 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8445 -0.2612 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5487 -1.3513 0.6412 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2049 0.0632 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5124 1.1946 -0.9222 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2879 -0.9037 -0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5150 -1.3228 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0297 -2.1343 -0.0939 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8834 -1.2660 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8244 0.8169 -0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0414 -0.2455 1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6821 0.6253 -1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4405 1.3848 0.2055 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7929 -0.8848 1.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0966 -1.5585 -0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7029 -1.1621 -0.2308 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3038 -0.0755 -1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9287 0.9205 1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5396 1.8099 -0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8426 2.2780 0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4860 1.4827 -1.2585 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2273 -0.7479 -0.2697 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5241 0.0781 1.3216 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4963 1.4624 -1.2154 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7262 1.9263 -1.1477 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3088 -1.6727 -0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2690 -0.4251 0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0265 -1.4581 0.9158 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