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
3.9742 0.0836 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6483 0.6406 -0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5515 -0.1834 0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1825 0.2824 -0.3455 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9256 -0.5066 0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2377 0.0617 -0.2606 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4098 -0.6461 0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3131 0.0005 0.9824 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7943 0.7863 -0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8295 -0.1404 1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1862 -0.8993 -0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6279 0.4554 -1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5659 1.7056 -0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6527 -0.1141 1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7417 -1.2418 -0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0895 1.3473 -0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1621 0.2536 -1.4507 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9434 -0.3236 1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8553 -1.5874 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2333 1.1392 -0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1676 -0.0081 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5262 -1.6950 0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1960 1.0628 1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1984 -0.4733 1.4062 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