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
-5.4863 -1.1681 0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0734 -1.2561 0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5295 0.1513 0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1107 0.1909 -0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6823 1.6275 -0.4726 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2882 1.8485 -0.9809 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7652 1.1248 -0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0972 1.4475 -0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1997 0.8489 -0.1955 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2913 -0.5288 -0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4021 -1.2635 -0.6348 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4116 -1.2141 0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5100 -2.5178 0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4797 -0.3793 1.1029 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9196 -2.1903 0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4761 -0.5821 1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1646 -0.6773 -0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0745 -1.6550 -0.9248 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4593 -1.8507 0.8004 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1852 0.8408 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5023 0.5153 1.1139 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1599 -0.2476 -1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5035 -0.4680 0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3657 2.1776 -1.1595 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8559 2.0317 0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2337 1.5928 -2.0525 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0770 2.9352 -0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8309 1.5296 0.8651 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6003 0.0597 -0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2133 2.5644 -0.7222 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0520 1.1472 -1.8894 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3563 -2.9673 1.0481 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7817 -3.2053 0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9409 0.3221 0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2363 -1.0038 1.6285 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9790 0.2192 1.9185 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