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
-4.4158 0.1267 0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9909 0.3004 -0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5809 0.0593 -1.3495 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0112 -1.2852 -1.1169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9288 -1.6911 0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0302 -0.7555 1.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4087 -0.7495 0.5159 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1504 0.2185 1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4829 0.4032 1.1127 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9893 0.8764 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0995 1.1412 -0.9353 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4064 1.0582 -0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7788 1.5159 -1.5204 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4416 0.7428 0.6665 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6880 0.3528 1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2465 0.8961 0.6049 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9794 -0.8367 0.5961 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6667 -0.3505 -1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2467 1.3448 -1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9329 0.8510 -0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4759 0.2868 -2.4465 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5770 -2.0942 -1.6582 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9807 -1.3526 -1.5726 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8890 -1.8585 0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3840 -2.6966 0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3726 0.2716 1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9522 -1.1570 2.1117 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7421 -1.7842 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3419 -0.3290 -0.5074 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6294 1.2134 1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9376 -0.0648 2.4486 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8131 1.6607 -1.7469 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0482 1.7458 -2.2551 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0140 -0.0077 1.3744 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3568 0.3100 0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7087 1.6376 1.2727 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