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
-3.3722 -0.5844 0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6156 0.1886 -0.6121 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1813 0.4760 -0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4151 -0.7759 0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9728 -0.4208 0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6583 0.3697 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0569 0.7157 -0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0696 0.2912 -0.8222 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0238 -0.2623 1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2276 -1.6740 0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4551 -0.3402 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5778 -0.2977 -1.5946 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1020 1.1967 -0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7398 1.0194 -1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2287 1.1636 0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3048 -1.3540 -0.8667 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9294 -1.4714 0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8347 0.2553 1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5575 -1.3095 0.8558 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6467 -0.0947 -1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1683 1.3778 -0.6325 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2214 1.2983 0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0927 0.5384 -0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8940 -0.3056 -1.7297 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