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
-5.1350 -1.2183 -0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4226 0.0000 0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9148 -0.2835 0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1531 0.9046 0.6936 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6635 0.6490 0.6885 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1567 0.3848 -0.6971 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3284 0.1273 -0.7688 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1587 1.2636 -0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5479 1.0031 -0.3598 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2101 -0.0145 0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5297 -0.7958 0.9969 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6534 -0.2376 0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2291 -1.2328 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0826 -1.1605 -1.4685 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1892 -1.1965 -0.0542 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6610 -2.1498 -0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6732 0.8500 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7475 0.1329 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6265 -0.4589 -0.9226 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7148 -1.2068 0.6995 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3301 1.7989 0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5229 1.1298 1.7101 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5323 -0.2759 1.3262 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1025 1.4283 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4377 1.2134 -1.3825 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6320 -0.5443 -1.1284 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -0.7956 -0.1464 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5366 -0.1270 -1.8435 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9843 2.1305 -0.9818 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8437 1.5569 0.7316 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2580 0.4094 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6331 -1.8837 1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2852 -1.4010 0.6985 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