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
-5.3908 -0.6555 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2886 0.3945 0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0532 -0.2260 -0.3985 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9596 0.8143 -0.3756 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6749 0.3290 -0.9795 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1755 -0.8594 -0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0437 -0.4962 1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0683 0.6086 1.3006 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2515 0.1292 0.7091 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4190 0.8292 0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4507 2.0078 1.0277 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5703 0.2190 -0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6786 0.9073 -0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5085 -1.1598 -0.5648 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9401 -0.5169 -0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1132 -0.5093 1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9190 -1.6425 0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5933 1.2563 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0875 0.6302 1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2584 -0.5258 -1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7200 -1.1193 0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8175 1.2112 0.6467 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3218 1.7008 -0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8621 -0.0338 -2.0335 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0891 1.1007 -1.0836 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8672 -1.7319 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7910 -1.2429 -0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5294 -1.3989 1.6982 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8949 -0.2398 1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2417 0.9274 2.3626 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6603 1.4867 0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7703 1.9307 0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5368 0.4566 -0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4579 -1.7153 -0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1541 -1.1771 -1.6171 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7160 -1.6890 0.0293 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