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
5.1993 0.3291 -1.2867 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0317 -0.0844 -0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1184 1.0571 -0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9939 0.5923 0.7766 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1439 -0.4820 0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0179 -0.8923 1.1211 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7933 -1.9815 0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4074 -1.5475 -0.8187 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2705 -0.4513 -0.6905 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4013 -0.4000 0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7150 -1.4275 0.7364 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2681 0.7692 0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3545 0.7820 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9244 1.9922 -0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0076 0.0959 -2.3483 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0657 -0.2987 -0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4893 1.3901 -1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3521 -0.5682 0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4698 -0.8475 -0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6611 1.9031 0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6975 1.4983 -1.0541 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4282 0.1749 1.7203 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4161 1.4881 1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7703 -1.3476 -0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6931 -0.0389 -0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6411 -0.0053 1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4335 -1.2159 2.0818 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5337 -2.4064 1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0677 -2.8303 0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9192 -2.4440 -1.2447 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6326 -1.2904 -1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6672 -0.0786 1.5139 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9728 1.6467 0.9826 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6859 2.2438 -1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9425 1.8696 -1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7924 2.8060 0.1540 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