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
-3.8004 0.7034 1.1938 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9569 -0.5266 1.2049 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0134 -1.3187 -0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5578 -0.5506 -1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1217 -0.0695 -1.1402 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1670 -1.2173 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2694 -0.7813 -0.8734 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5300 0.1055 0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8781 0.5107 0.4092 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5846 1.2365 -0.5391 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9480 1.5450 -1.5789 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9674 1.6352 -0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6913 1.3479 0.6733 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3079 1.5613 0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9382 1.0259 2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8244 0.5268 0.8032 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3362 -1.1866 2.0246 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9074 -0.2285 1.3922 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0379 -1.6941 -0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3857 -2.2215 0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6179 -1.1642 -2.1607 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2061 0.3336 -1.4161 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0373 0.6157 -0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8779 0.4565 -2.0849 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4081 -1.8050 -0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3349 -1.9132 -1.8282 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8571 -1.7467 -0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6282 -0.3456 -1.8487 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2754 -0.4487 1.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8437 0.9788 0.2332 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4197 2.1987 -1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2405 0.7874 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7040 1.6493 0.7684 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