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
-3.7524 -0.5486 0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4590 -0.4122 0.8635 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4116 0.0652 -0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0593 0.2488 0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8665 0.7329 -0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2684 0.9581 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8574 -0.2726 0.5042 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9591 -0.7811 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4487 -1.2653 0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2092 0.4792 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4803 -0.8490 -0.9461 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2267 -1.4029 1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6122 0.3145 1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2895 -0.7170 -0.8722 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7272 1.0237 -0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0638 1.0469 1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2866 -0.7071 0.9791 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4318 1.6622 -0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8250 -0.0270 -1.3586 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1881 1.7713 0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8524 1.3942 -0.8737 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3803 -0.7629 1.3334 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4283 -0.2770 -0.8384 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3961 -1.6745 0.3869 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