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
5.7744 0.2461 -0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8968 -0.2395 0.9736 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4749 0.1872 0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4980 -0.2316 1.6825 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1187 0.2337 1.3168 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7100 -0.3767 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6877 0.0462 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7213 -0.3569 0.5748 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0027 0.0479 0.1511 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6390 -0.3597 -1.0052 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0197 -1.1725 -1.7534 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9685 0.1072 -1.3783 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5236 -0.3153 -2.4908 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7106 1.0542 -0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8549 0.0347 0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4373 -0.2106 -1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5933 1.3509 -0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9380 -1.3512 0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2462 0.1638 1.9276 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4680 1.2937 0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2583 -0.2989 -0.3409 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4808 -1.3598 1.7281 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8122 0.1389 2.6853 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1835 1.3518 1.1508 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3722 0.0172 2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7338 -1.4871 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3801 -0.0314 -0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8742 -0.4512 -1.3771 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6851 1.1425 -0.5818 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5479 0.1503 1.5678 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6588 -1.4607 0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4990 -0.0086 -2.8201 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9771 -1.0064 -3.1106 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0171 1.9715 -1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6260 0.6088 -0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0729 1.3446 0.3616 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