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
-4.1615 0.9211 -0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8314 -0.4248 -1.1709 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5419 -1.4642 -0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3867 -1.1296 0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0930 -0.9589 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0178 -0.6267 0.9957 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3331 -0.4327 0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3226 -0.1079 1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6220 0.0996 0.9638 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9986 1.0810 0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0886 1.8310 -0.3731 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3967 1.2327 -0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7632 2.1591 -1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4799 1.2611 0.1908 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0971 1.6635 -1.4255 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1936 0.9796 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0358 -0.3903 -1.9226 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7548 -0.7648 -1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3433 -2.4185 -0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4249 -1.6377 0.5065 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3052 -1.9295 1.5206 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6214 -0.1965 1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2163 -0.0976 -0.6945 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8956 -1.8629 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2906 0.3515 1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0503 -1.3831 1.7788 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3050 0.2925 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6203 -1.4204 -0.0924 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3415 -0.9756 2.1141 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9074 0.7387 1.9999 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1416 0.5662 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8008 2.2257 -1.5131 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9990 2.8187 -1.6183 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