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
-5.3737 0.6583 0.9216 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4663 -0.1195 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0264 -0.0234 0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1614 -0.8107 -0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7068 -0.7618 -0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1790 0.6361 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2739 0.7032 0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1391 -0.0764 -0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5208 -0.0033 -0.2011 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4956 -0.6571 -0.9402 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1036 -1.2980 -1.9428 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9086 -0.6217 -0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3771 0.0291 0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5080 1.7164 0.5914 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3686 0.1780 0.9975 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9478 0.6785 1.9545 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5296 0.2938 -1.0273 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8142 -1.1593 -0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7378 1.0435 0.4957 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9751 -0.4415 1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3206 -0.5435 -1.5303 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4704 -1.8881 -0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0876 -1.3764 -0.7476 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6610 -1.1481 0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3156 1.1409 -1.0491 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7264 1.2687 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3199 0.2200 1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6274 1.7274 0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9785 0.2796 -1.6142 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9074 -1.1771 -0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6000 -1.1570 -1.2249 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6908 0.5678 1.0679 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4338 0.0244 0.6460 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