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
-3.8482 -0.3924 -0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6950 0.5824 -0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4748 -0.1347 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2329 0.7426 -0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8876 -0.1158 0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2103 0.5959 0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2141 -0.3905 0.9597 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2703 -0.7651 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5803 -1.2427 -1.2002 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9024 -0.8054 0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8133 0.0403 -0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5026 0.9348 -1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9017 1.4189 0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2654 -0.9645 -0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5763 -0.5190 0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4340 1.5717 0.5842 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0569 1.1800 -1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0048 -0.9737 -0.3331 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5937 -0.5374 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1759 1.5048 1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4788 0.9022 -0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0361 -0.8073 1.9507 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9608 -1.4722 0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4515 -0.3530 -0.6903 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