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
-3.9418 0.3289 0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7198 -0.3978 -0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4339 0.2905 0.4284 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2864 -0.5416 -0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9905 0.1284 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2140 -0.6292 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3928 0.1084 0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2465 0.6052 -0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6897 1.2633 0.9977 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4924 -0.3605 1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6261 0.5018 -0.4034 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7037 -0.4214 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6603 -1.4398 0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3606 0.3399 1.5176 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4200 1.3144 0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3953 -0.4863 -1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3762 -1.5814 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0324 1.1324 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0582 0.2500 1.3839 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2135 -0.5868 -1.3189 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1920 -1.6863 0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5269 0.2230 1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1122 0.4902 -1.6567 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1273 1.1546 -0.2746 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