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
4.5630 -0.2755 -2.5412 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7349 0.4657 -1.2401 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4478 1.1199 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3964 0.0608 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0745 0.6421 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0481 -0.4466 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2721 0.1536 0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3263 -0.9192 0.6412 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5295 -0.2988 1.0551 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6617 -1.0624 1.2975 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5718 -2.3049 1.1362 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9299 -0.4372 1.7305 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0124 0.8645 1.8962 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5148 -0.2136 -3.0958 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3236 -1.3480 -2.3869 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7363 0.2176 -3.0921 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0488 -0.2647 -0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5250 1.2252 -1.3606 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1491 1.8865 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6505 1.6220 0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7364 -0.6493 0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2269 -0.5293 -1.5268 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6965 1.3570 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1617 1.1975 0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0575 -1.0260 -0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4310 -1.1614 0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0859 0.6170 1.4492 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6172 0.9419 -0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0391 -1.6675 1.3769 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4749 -1.4695 -0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7685 -1.0875 1.9009 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1715 1.5030 1.7238 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9470 1.2870 2.2111 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