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
   -3.9827   -0.1155    0.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6578    0.5513    0.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5193   -0.4410    0.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    0.3704   -0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9597   -0.5133   -0.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1439    0.4306   -0.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -0.3443   -0.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3777   -0.1165    0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3156    0.0888    1.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7146    0.3586   -0.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9749   -1.1934    0.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4239    1.2392    1.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6430    1.1356   -0.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4052   -1.0361    1.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6739   -1.1723   -0.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1404    1.0380    0.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3882    0.9643   -1.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8690   -1.1129   -1.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1030   -1.1277    0.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9956    0.9620   -1.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2187    1.1894    0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4992   -1.0868   -1.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2451    0.6227    1.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2900   -0.6914    0.1618 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