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
-5.1360 -0.2683 1.3266 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3891 -0.2651 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8930 -0.2961 0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0897 -0.2946 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6017 -0.3281 -0.7087 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1629 0.8794 0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3243 0.8597 0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1500 0.8660 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5143 0.8485 -0.5144 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1372 -0.1295 0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4947 -1.1096 0.5949 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5504 -0.0164 0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1520 -0.9586 1.2106 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1365 0.2403 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3734 -1.2963 1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5525 0.2723 2.1021 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6820 -1.1631 -0.5722 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6418 0.6322 -0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6483 0.5280 0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6741 -1.2429 0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3517 0.5742 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3735 -1.1946 -1.5417 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0561 -0.4006 -1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4007 -1.2758 -0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4805 1.8217 -0.3496 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6402 0.7866 1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5484 1.8209 0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5461 0.0596 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9895 1.8631 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9243 0.0619 -1.6002 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1255 0.8351 0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2021 -0.8822 1.4443 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6247 -1.8277 1.5660 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