but-1-ene;hex-1-ene;bis(oct-1-ene)

C26H52 — CID 161126076

IUPACbut-1-ene;hex-1-ene;bis(oct-1-ene)
SMILESC=CCC.C=CCCCC.C=CCCCCCC.C=CCCCCCC
InChIInChI=1S/2C8H16.C6H12.C4H8/c2*1-3-5-7-8-6-4-2;1-3-5-6-4-2;1-3-4-2/h2*3H,1,4-8H2,2H3;3H,1,4-6H2,2H3;3H,1,4H2,2H3
InChIKeyULOOITRYNTYOFO-UHFFFAOYSA-N
MW364.70 g/mol
LogP10.23
Rot. Bonds14

About but-1-ene;hex-1-ene;bis(oct-1-ene)

but-1-ene;hex-1-ene;bis(oct-1-ene) (PubChem CID 161126076) has the molecular formula C26H52 and a molecular weight of 364.70 g/mol. Its IUPAC name is but-1-ene;hex-1-ene;bis(oct-1-ene).

Molecular Properties

Compound Namebut-1-ene;hex-1-ene;bis(oct-1-ene)
PubChem CID161126076
Molecular FormulaC26H52
Molecular Weight364.70 g/mol
Exact Mass364.41
IUPAC Namebut-1-ene;hex-1-ene;bis(oct-1-ene)
SMILESC=CCC.C=CCCCC.C=CCCCCCC.C=CCCCCCC
InChIInChI=1S/2C8H16.C6H12.C4H8/c2*1-3-5-7-8-6-4-2;1-3-5-6-4-2;1-3-4-2/h2*3H,1,4-8H2,2H3;3H,1,4-6H2,2H3;3H,1,4H2,2H3
InChIKeyULOOITRYNTYOFO-UHFFFAOYSA-N
XLogP10.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.70
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tetrakis(but-1-ene);oct-1-ene
CID 158942238
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
but-1-ene;tetrakis(hex-1-ene)
CID 22000755
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
but-1-ene;hexakis(hex-1-ene)
CID 161273113
hex-1-ene;oct-1-ene;pent-1-ene
CID 174703469
oct-1-ene;tetrahydrochloride
CID 172847494
dodec-1-ene;ethene
CID 158697165

Frequently Asked Questions

What is the IUPAC name of but-1-ene;hex-1-ene;bis(oct-1-ene)?
The IUPAC name of but-1-ene;hex-1-ene;bis(oct-1-ene) (CID 161126076) is but-1-ene;hex-1-ene;bis(oct-1-ene).
What is the SMILES notation for but-1-ene;hex-1-ene;bis(oct-1-ene)?
The canonical SMILES for but-1-ene;hex-1-ene;bis(oct-1-ene) is C=CCC.C=CCCCC.C=CCCCCCC.C=CCCCCCC.
What is the InChIKey of but-1-ene;hex-1-ene;bis(oct-1-ene)?
The InChIKey is ULOOITRYNTYOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16.C6H12.C4H8/c2*1-3-5-7-8-6-4-2;1-3-5-6-4-2;1-3-4-2/h2*3H,1,4-8H2,2H3;3H,1,4-6H2,2H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;hex-1-ene;bis(oct-1-ene)?
but-1-ene;hex-1-ene;bis(oct-1-ene) has a molecular weight of 364.70 g/mol, XLogP of 10.23, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;hex-1-ene;bis(oct-1-ene) is sourced from PubChem (CID 161126076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).