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
-4.1158 -0.8563 -0.5278 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2554 0.5166 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1864 1.4950 -0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8248 1.2599 0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1474 0.0311 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2955 -0.0414 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9180 -1.3029 -0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2672 -1.6414 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3634 -0.8900 0.0765 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7850 0.3160 0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0077 0.9144 1.2883 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0483 0.9248 0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8816 0.3012 -0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1499 -1.2003 -0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8792 -1.5876 0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4474 -0.9658 -1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4587 0.4085 1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2472 0.9355 -0.3599 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5947 2.5076 0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1130 1.6401 -1.3971 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1920 2.1275 -0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7242 1.3231 1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0254 0.0380 -1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6602 -0.8978 0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2467 -0.0837 1.4323 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7521 0.8854 -0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2370 -2.1184 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7289 -1.4295 -1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5098 -2.6872 -0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1947 -1.8733 1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3232 1.8882 0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6389 -0.6722 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8236 0.7349 -0.9385 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