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
-3.4966 0.8604 0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0766 0.6086 -0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7168 -0.8511 0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3068 -1.1070 -0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7079 -0.2655 0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0843 -0.6188 -0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1269 0.2027 0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9053 1.0394 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5435 1.8634 0.8695 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7787 0.1348 1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2330 0.7226 -0.4133 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0105 0.8396 -1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3922 1.2908 0.4389 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4450 -1.4390 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8327 -1.1504 1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3123 -0.9354 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1003 -2.1861 -0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7529 -0.5588 1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5730 0.8042 0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0910 -0.4321 -1.3172 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2972 -1.7052 -0.0818 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2236 0.0892 1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8418 1.1831 -1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6411 1.6107 0.3322 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