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
5.1635 0.8101 0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9098 -0.6599 0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7646 -1.1600 0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4757 -0.4297 0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0942 -0.6262 -0.7653 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8265 0.0884 -1.1045 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3728 -0.3488 -0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5762 0.4502 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7430 0.0560 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9712 0.6565 -0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9754 1.5532 -1.1584 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1822 0.3057 0.4499 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1770 -0.6184 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4403 1.0033 0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6566 1.1928 1.2711 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8722 1.4141 -0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2532 1.0342 0.5133 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8198 -1.1979 0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7869 -0.9164 -0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0175 -0.9208 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6722 -2.2585 0.8907 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6652 -0.8473 1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6067 0.6218 0.9559 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8834 -0.2547 -1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9699 -1.7180 -0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6693 -0.0209 -2.2021 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9599 1.1984 -0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5819 -1.4162 -0.5535 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2027 -0.2847 0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7626 0.1771 -1.8206 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4332 1.5332 -0.6255 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0683 -0.8982 1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2589 -1.1216 1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7887 0.7047 -0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2066 0.7920 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3262 2.1064 0.0750 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