Monomers
1-Octene
Identifiers
IUPAC name
oct-1-ene
InchI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InchI Key
KWKAKUADMBZCLK-UHFFFAOYSA-N
SMILES
CCCCCCC=C
Canonical SMILES
CCCCCCC=C
Isomeric SMILES
CCCCCCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H16
Heavy Atom Count
8
Molecular Weight
112.216
Exact Molecular Weight
112.1252
Valence Electrons
48
Radical Electrons
0
tPSA
0.0
MolLogP
3.1428
H Bond Acceptors
0
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
24 23 0 0 0 0 0 0 0 0999 V2000
-3.5423 0.6870 -0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5614 -0.3024 -0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2579 -0.1486 0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2034 -1.1012 -0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0785 -0.9213 0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6480 0.4622 0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9100 0.4905 0.9746 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0774 0.7833 0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9906 1.5051 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1076 0.1567 0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2120 1.1375 -0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4919 -0.0669 -1.7338 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9859 -1.3265 -0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9551 0.9058 0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4469 -0.4154 1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0764 -1.0183 -1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5720 -2.1273 -0.2549 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9380 -1.1647 1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8304 -1.6127 -0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9752 1.2436 0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9025 0.7430 -0.8553 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9329 0.2737 2.0407 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0084 0.8117 0.9556 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1020 1.0052 -0.6450 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 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
4 17 1 0
5 18 1 0
5 19 1 0
6 20 1 0
6 21 1 0
7 22 1 0
8 23 1 0
8 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers