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
3.1290 0.3044 2.1517 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0152 0.2716 0.9503 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3652 -0.5652 -0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0241 0.0660 -0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4047 -0.7679 -1.5784 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0696 -0.2625 -2.0399 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8849 -0.2405 -0.8875 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2605 0.2604 -1.2787 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0526 0.2266 -0.0946 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3707 0.6135 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9131 1.0168 -1.1174 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0819 0.5363 1.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5282 0.1179 2.3115 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7421 0.2527 3.0629 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4756 -0.5906 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5302 1.2387 2.1166 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1821 1.2904 0.5155 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9960 -0.1188 1.2261 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0315 -0.5286 -1.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2223 -1.5874 0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2514 1.0860 -0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4400 0.1691 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3835 -1.8331 -1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0906 -0.7014 -2.4735 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3189 -1.0047 -2.7911 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1482 0.6915 -2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5056 0.4685 -0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0104 -1.2624 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1698 1.3489 -1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7041 -0.2737 -2.1143 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1140 0.8424 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5017 -0.1891 2.3119 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0850 0.0761 3.2231 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