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
4.3930 2.1643 -0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0826 1.4399 -0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8984 0.3753 0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6102 -0.3903 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4990 -1.0944 -0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2097 -1.8384 -0.8024 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0186 -0.9716 -0.6993 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2873 -1.7824 -0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3962 -0.9330 -0.7204 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7240 -0.1679 0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9890 -0.2133 1.3864 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9159 0.7045 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1839 1.4093 1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1745 1.4049 0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2828 2.8736 0.8195 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6358 2.7570 -0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1029 1.0126 -1.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2778 2.1882 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7612 -0.3117 0.7212 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9039 0.8370 1.7793 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7381 0.2368 0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6387 -1.1953 1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3672 -1.7928 -0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5535 -0.4084 -1.5708 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1564 -2.6608 -0.0815 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1625 -2.3147 -1.8258 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0558 -0.2355 -1.5559 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0541 -0.3725 0.2063 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3453 -2.2768 -1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3349 -2.5843 -0.0435 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5296 0.7241 -0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0711 2.0549 1.4291 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5426 1.3618 2.3025 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