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
-2.5231 2.2178 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5223 1.1419 0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5007 0.1096 -0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1346 -0.5360 -0.9454 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6893 -1.2263 0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3409 -1.8616 0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7507 -0.8773 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0129 -1.6834 -0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1457 -0.9540 -0.7274 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6698 0.0734 0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0353 0.3122 1.1001 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8599 0.7933 -0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3548 1.7634 0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6929 2.1260 0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9932 3.2438 0.0274 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1289 2.1488 -1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3897 0.7038 1.2998 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5263 1.6088 0.2821 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7236 0.6383 -1.7533 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2673 -0.6688 -0.6738 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2025 -1.2709 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4018 0.2364 -1.2538 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6551 -0.5546 1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4212 -2.0209 0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4222 -2.5844 -0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0461 -2.4928 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4554 -0.4564 -1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8116 -0.1390 0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1900 -2.2069 0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8366 -2.4485 -1.1846 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3675 0.5455 -1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8485 2.0161 1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2430 2.3027 0.0766 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