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
-5.1246 0.1695 1.6688 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4892 -0.0510 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0009 -0.3597 0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3397 -0.5850 -0.7816 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8720 -0.9023 -0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1109 0.2168 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3717 -0.1083 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0324 -0.3386 -1.1933 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3863 -0.6259 -1.0305 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3038 0.2216 -0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9187 1.3363 -0.0443 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6989 -0.2364 -0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6349 0.5219 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4918 -0.2780 2.4531 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1412 -0.3071 1.6873 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1996 1.2657 1.8768 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9743 -0.8968 -0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5644 0.8256 -0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9858 -1.2708 1.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5345 0.4408 1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4891 0.3096 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8126 -1.4585 -1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4327 -1.1221 -1.6507 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7263 -1.8063 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5331 0.5128 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2550 1.1199 -0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8737 0.6320 0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3963 -1.1011 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8402 0.4673 -1.9319 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5770 -1.2793 -1.6257 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9899 -1.2077 -0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4127 1.5160 0.5743 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6414 0.1482 0.2326 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