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
-4.1105 1.6364 -0.4146 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9417 0.1952 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6490 -0.3858 -0.6034 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5174 0.4205 -0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2083 -0.1124 -0.5713 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0775 -1.5256 -0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3676 -2.0865 -0.7077 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6562 -1.7495 -0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1920 -0.5087 0.0146 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9229 0.5111 0.8823 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0109 0.2858 1.7408 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6144 1.7910 0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5631 2.0568 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4447 1.9175 -1.2552 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8560 2.3171 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1760 1.8383 -0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8716 0.0550 1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7702 -0.4526 -0.3895 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6712 -0.3161 -1.6919 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6003 -1.4490 -0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5348 0.4793 1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6213 1.4554 -0.4649 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3608 -0.1050 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6147 0.5678 -0.4595 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0377 -1.6792 0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7926 -2.1586 -0.5946 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2206 -3.2373 -0.7323 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4257 -1.8973 -1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4534 -2.3837 -0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7215 -2.3230 0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3481 2.5488 1.5754 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8282 1.2965 -0.7331 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0716 2.9978 -0.0338 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