Monomers
Octyl acrylate
Identifiers
IUPAC name
octyl prop-2-enoate
InchI
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h4H,2-3,5-10H2,1H3
InchI Key
ANISOHQJBAQUQP-UHFFFAOYSA-N
SMILES
CCCCCCCCOC(=O)C=C
Canonical SMILES
CCCCCCCCOC(=O)C=C
Isomeric SMILES
CCCCCCCCOC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H20O2
Heavy Atom Count
13
Molecular Weight
184.279
Exact Molecular Weight
184.1463
Valence Electrons
76
Radical Electrons
0
tPSA
26.3
MolLogP
3.0761
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
33 32 0 0 0 0 0 0 0 0999 V2000
-4.7336 -0.3057 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5770 0.4101 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1353 0.2340 1.1245 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2700 0.8425 0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7878 0.7482 0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3806 -0.6812 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0849 -0.8427 0.8709 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9815 -0.2581 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3121 -0.4876 0.2434 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3664 -0.0558 -0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0777 0.5234 -1.6173 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7250 -0.2887 -0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7107 0.1265 -0.8482 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7679 -0.7239 -0.7203 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5459 0.4157 -1.4723 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0129 -1.1475 -0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8342 1.4737 0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2328 -0.0385 1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9603 0.7646 2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9969 -0.8398 1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4596 0.2670 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5568 1.8839 -0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1783 1.2562 -0.3893 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5916 1.3448 1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6269 -1.1796 -0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0140 -1.1934 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2253 -0.2938 1.8475 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3583 -1.8818 1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8288 -0.7163 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7903 0.8356 -0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9283 -0.7870 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5428 0.6291 -1.7804 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7302 -0.0340 -0.5377 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
1 14 1 0
1 15 1 0
1 16 1 0
2 17 1 0
2 18 1 0
3 19 1 0
3 20 1 0
4 21 1 0
4 22 1 0
5 23 1 0
5 24 1 0
6 25 1 0
6 26 1 0
7 27 1 0
7 28 1 0
8 29 1 0
8 30 1 0
12 31 1 0
13 32 1 0
13 33 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers