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
-5.3555 -1.9777 -0.8208 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0188 -1.5639 -0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0648 -1.3503 -1.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6870 -0.9356 -0.8892 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7595 0.3550 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4106 0.8300 0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2587 -0.1688 1.2635 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5964 0.4092 1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4231 0.6435 0.5363 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6877 1.1731 0.7328 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0488 1.4235 1.9085 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5920 1.4386 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7858 1.9433 -0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1469 1.1366 -1.7819 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2649 -2.9915 -1.2401 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5938 -1.2207 -1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1083 -1.9859 -0.0262 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2531 -0.6118 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6734 -2.3240 0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9515 -2.3365 -1.8392 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5193 -0.6367 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0903 -0.7953 -1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1789 -1.7480 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4415 0.2374 0.7334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1558 1.1301 -0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2614 1.0589 -0.4825 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5787 1.7531 0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3129 -0.4017 2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4904 -1.0932 0.6704 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1551 -0.2455 2.3575 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3961 1.3553 2.2091 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1299 2.1707 0.8267 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4321 2.1307 -1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8432 2.0870 -2.2578 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9315 0.6074 -2.3624 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2394 0.5039 -1.7371 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