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
-3.3710 0.8142 0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0681 0.2857 -0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4445 -0.6174 0.6898 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1553 -1.2202 0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8834 -0.1680 -0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1744 -0.8468 -0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2197 0.1594 -0.8416 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0036 1.4548 -0.7348 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1761 0.8728 -0.4855 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7448 0.0854 1.0491 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2096 1.7572 0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4199 1.1618 -0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2640 -0.2326 -1.2904 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1673 -1.4612 0.8494 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2756 -0.0634 1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2688 -1.9332 -0.5981 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2515 -1.8078 1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4846 0.4851 -0.8709 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0687 0.3946 0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9133 -1.4673 -1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5282 -1.4867 0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1850 -0.1899 -1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0623 1.8740 -0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7906 2.1496 -0.9780 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