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
-5.2428 1.0964 0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8758 0.5279 0.7935 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5816 -0.5836 -0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2372 -1.2301 0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1065 -0.2438 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1932 -1.0126 0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3965 -0.0805 0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6167 -0.8932 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8247 -0.2021 0.2565 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2273 0.4365 -0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4508 0.3641 -1.8927 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4954 1.1714 -0.9891 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2680 1.2223 0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3557 2.1107 0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0586 0.4803 0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3133 1.1601 -0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1004 1.3093 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9187 0.0850 1.7987 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3877 -1.3363 -0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6753 -0.2296 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1074 -1.9839 -0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2595 -1.7217 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1923 0.6174 0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1300 0.1505 -1.1078 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1501 -1.5122 1.1617 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2180 -1.8153 -0.5874 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3322 0.3929 -0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2643 0.6801 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6129 -1.8209 -0.3113 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5246 -1.2858 1.3745 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7596 1.6516 -1.9168 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2068 1.7545 0.0248 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0014 0.7404 0.9879 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