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
-4.5666 1.4869 -0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6481 0.8092 -1.3118 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6478 -0.0460 -0.5478 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8425 0.8387 0.3802 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8452 0.0297 1.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1360 -0.6880 0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0868 -1.4662 1.1394 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1081 -2.2200 0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9293 -1.4469 -0.4569 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7353 -0.4709 0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6753 -0.3359 1.3380 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6255 0.3815 -0.6938 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3649 1.2909 -0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8652 0.7623 0.4643 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4447 1.9346 -0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0355 2.3217 0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1239 1.6283 -1.8742 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2079 0.1458 -1.9913 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0067 -0.5237 -1.3117 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2210 -0.7808 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3795 1.6758 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5413 1.2960 1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4046 -0.6911 1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2419 0.7175 1.7886 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4505 -1.4330 -0.3574 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6570 0.0513 -0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4443 -2.2458 1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4776 -0.8401 1.9398 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6539 -2.8984 1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5330 -2.9143 -0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6831 0.2727 -1.7594 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3451 1.4422 0.9688 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0180 1.9162 -0.6805 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