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
-3.9374 0.2415 0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7535 -0.5442 -0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4810 0.2279 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2630 -0.5598 -0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9428 0.3003 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2272 -0.3512 -0.5137 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3416 0.5660 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3116 0.1975 0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9497 0.1365 1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8042 1.3133 0.0781 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8835 -0.1755 -0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7196 -1.5109 0.3589 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8391 -0.7431 -1.2362 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3116 0.4034 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5113 1.2159 -0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3352 -0.8120 -1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1438 -1.4938 0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8126 1.2521 -0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9916 0.4949 0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1909 -0.4655 -1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2993 -1.3227 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3467 1.5514 -0.5983 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1206 0.8647 0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3481 -0.7867 1.1248 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