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
-4.8863 0.9416 -0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3061 -0.3194 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7947 -0.3349 -0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3171 -0.2049 0.7945 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8276 -0.2125 0.9244 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1812 0.9239 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3062 0.9317 0.2841 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9598 -0.3165 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3617 -0.1628 -0.0552 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2490 -1.1570 -0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7288 -2.1945 -0.9539 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6891 -1.0402 -0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2075 0.0313 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8035 1.1880 -0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1363 0.8317 0.9834 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1994 1.8163 -0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7530 -1.1695 -0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6204 -0.4188 -1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4413 0.4351 -1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4727 -1.3378 -0.9981 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6721 0.7918 1.1728 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7653 -0.9977 1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4400 -1.2018 0.6392 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5849 -0.0528 1.9985 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 0.9646 -0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5604 1.8634 0.6227 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6012 1.0896 1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6935 1.7803 -0.3044 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7199 -0.4353 -1.3294 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6258 -1.2372 0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3127 -1.8511 -0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5612 0.8584 0.5826 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2623 0.1973 0.4135 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