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
-5.5705 1.1477 0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0723 0.9052 0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6351 0.8642 -0.8475 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1642 0.6299 -1.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6834 -0.6535 -0.4304 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1865 -0.7515 -0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3820 -2.0339 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8751 -2.0190 -0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4868 -0.8768 0.2051 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8376 -0.6436 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4926 -1.4781 -0.6075 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4951 0.4917 0.6763 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8373 1.3821 1.3948 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9558 0.6792 0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1409 0.2081 0.4555 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8229 1.6836 1.5164 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7624 1.8742 -0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8262 -0.0575 1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5903 1.6984 1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8601 1.8680 -1.2816 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2594 0.1128 -1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6219 1.5102 -0.6337 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9680 0.5969 -2.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1825 -1.4959 -0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9360 -0.7678 0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0405 -0.7595 -1.7603 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3323 0.0840 -0.1619 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2271 -2.0624 0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0655 -2.9393 -0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9902 -1.8529 -1.5089 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3759 -2.9386 -0.1159 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7599 1.2825 1.5558 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3221 2.2241 1.8421 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4737 0.1080 1.2991 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2446 1.7627 0.5007 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2195 0.2167 -0.5025 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