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
-4.9103 0.2035 -0.5943 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4961 -0.1901 0.8038 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0907 -0.7977 0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2121 0.2953 0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7776 -0.1653 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0012 0.9821 -0.6065 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4535 0.7016 -0.8353 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1496 0.3395 0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5220 0.0750 0.2532 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0309 -0.9023 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2348 -1.6403 -1.1802 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4795 -1.0496 -0.6625 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2976 -0.2580 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3966 -0.4048 -1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6441 1.2742 -0.8202 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0056 0.0820 -0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2033 -0.8776 1.2913 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3807 0.7364 1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7996 -1.0280 1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1698 -1.6777 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5945 0.6173 -0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2831 1.1623 0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3558 -0.5778 0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7797 -0.9753 -0.8065 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4898 1.3451 -1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0970 1.8276 0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9157 1.6825 -1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6489 0.0073 -1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1151 1.2741 1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6634 -0.4465 1.0319 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9239 -1.8087 -1.2903 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8972 0.5304 0.6596 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3555 -0.3363 -0.0466 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