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
3.4379 0.8615 0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9881 0.5508 0.5546 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6585 -0.8539 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2340 -1.2538 0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6786 -0.3391 -0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1463 -0.6523 -0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9038 0.3464 -0.8579 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7599 1.2040 -0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5782 0.5077 -0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5789 1.9398 0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1267 0.3089 0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3942 1.2838 -0.0562 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7478 0.7277 1.6104 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3885 -1.5373 0.6656 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8576 -0.9941 -0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1167 -1.1768 1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1229 -2.3056 0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5438 0.7011 0.0637 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4825 -0.3886 -1.3553 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3983 -1.6603 -0.4917 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4251 -0.6640 1.0044 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7109 0.3301 -1.9342 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8866 1.1463 0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2941 1.9176 -0.9249 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