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
2.3022 1.1476 -0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2471 -0.3288 -0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6798 -1.0863 0.7378 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2644 -0.7113 1.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6694 -0.9595 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1031 -0.5776 0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2232 0.8514 0.6402 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0197 1.6304 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3880 1.6740 -0.5713 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5265 1.3532 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1352 1.5429 -0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7682 -0.5613 -1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3137 -0.6827 -0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6998 -2.1660 0.4882 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3005 -0.9589 1.6465 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1292 -1.3232 1.9208 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1622 0.3427 1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4012 -0.3406 -0.9704 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6804 -2.0298 -0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7621 -0.7811 -0.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4575 -1.2135 1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6616 1.2359 1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5770 1.2497 -0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1031 2.6930 0.2091 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