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
-3.9199 1.7750 1.0318 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4930 0.4840 0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7083 0.8236 -0.8838 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2735 -0.4252 -1.5962 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4170 -1.2654 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1697 -0.5349 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5843 -1.5494 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8683 -0.9536 1.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7205 -0.5687 0.0704 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9433 -0.0028 0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2817 0.1621 1.5761 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8793 0.4208 -0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0323 0.9545 -0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0753 2.3246 1.4721 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6878 1.4881 1.7932 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4261 2.3872 0.2793 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9381 -0.1102 1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4239 -0.0626 0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7992 1.3804 -0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2918 1.4983 -1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7244 -0.1643 -2.5437 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1939 -0.9373 -1.9404 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0740 -2.1574 -1.3035 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9323 -1.5973 0.2147 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5093 0.2668 0.4479 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4429 -0.1626 -1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0721 -1.8566 1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7645 -2.4482 -0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3661 -1.7493 1.7227 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6249 -0.0556 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6090 0.2885 -1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7026 1.2577 -1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3097 1.0900 0.6499 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