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
-2.6669 0.6405 1.1339 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2830 -0.7983 0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7737 -0.9265 -0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5825 -0.0571 -0.7776 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5904 -0.3684 0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6764 0.6414 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8971 0.4841 0.5038 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0410 0.2108 -0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2412 0.6498 2.0782 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7366 1.2073 1.2719 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2710 1.0871 0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4905 -1.0893 1.5348 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1484 -1.4822 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6023 -0.5056 -1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5612 -1.9695 -0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1977 -0.0887 -1.8233 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8495 1.0195 -0.5609 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9404 -1.3972 0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2586 -0.1876 1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1883 1.6428 -0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8127 0.5204 -1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8813 0.5887 1.5726 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9752 0.0887 0.4827 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1430 0.0892 -1.1706 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