but-1-ene;hexakis(hex-1-ene)

C40H80 — CID 161273113

IUPACbut-1-ene;hexakis(hex-1-ene)
SMILESC=CCC.C=CCCCC.C=CCCCC.C=CCCCC.C=CCCCC.C=CCCCC.C=CCCCC
InChIInChI=1S/6C6H12.C4H8/c6*1-3-5-6-4-2;1-3-4-2/h6*3H,1,4-6H2,2H3;3H,1,4H2,2H3
InChIKeyVEBWIFWXEAYDCJ-UHFFFAOYSA-N
MW561.08 g/mol
LogP15.76
Rot. Bonds19

About but-1-ene;hexakis(hex-1-ene)

but-1-ene;hexakis(hex-1-ene) (PubChem CID 161273113) has the molecular formula C40H80 and a molecular weight of 561.08 g/mol. Its IUPAC name is but-1-ene;hexakis(hex-1-ene).

Molecular Properties

Compound Namebut-1-ene;hexakis(hex-1-ene)
PubChem CID161273113
Molecular FormulaC40H80
Molecular Weight561.08 g/mol
Exact Mass560.63
IUPAC Namebut-1-ene;hexakis(hex-1-ene)
SMILESC=CCC.C=CCCCC.C=CCCCC.C=CCCCC.C=CCCCC.C=CCCCC.C=CCCCC
InChIInChI=1S/6C6H12.C4H8/c6*1-3-5-6-4-2;1-3-4-2/h6*3H,1,4-6H2,2H3;3H,1,4H2,2H3
InChIKeyVEBWIFWXEAYDCJ-UHFFFAOYSA-N
XLogP15.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.08
LogP ≤ 515.76
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

but-1-ene;tetrakis(hex-1-ene)
CID 22000755
but-1-ene;hex-1-ene;prop-1-ene
CID 86759030
but-1-ene;hex-1-ene;bis(oct-1-ene)
CID 161126076
hex-1-ene;zinc
CID 174554611
tetrakis(but-1-ene);oct-1-ene
CID 158942238
hex-1-ene;zirconium(4+);dichloride
CID 157382882
(Z)-dec-5-ene;hex-1-ene
CID 141304086
benzene;buta-1,3-diene;hex-1-ene
CID 159461110
ethanamine;hex-1-ene;hydrochloride
CID 160582702
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925

Frequently Asked Questions

What is the IUPAC name of but-1-ene;hexakis(hex-1-ene)?
The IUPAC name of but-1-ene;hexakis(hex-1-ene) (CID 161273113) is but-1-ene;hexakis(hex-1-ene).
What is the SMILES notation for but-1-ene;hexakis(hex-1-ene)?
The canonical SMILES for but-1-ene;hexakis(hex-1-ene) is C=CCC.C=CCCCC.C=CCCCC.C=CCCCC.C=CCCCC.C=CCCCC.C=CCCCC.
What is the InChIKey of but-1-ene;hexakis(hex-1-ene)?
The InChIKey is VEBWIFWXEAYDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C6H12.C4H8/c6*1-3-5-6-4-2;1-3-4-2/h6*3H,1,4-6H2,2H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;hexakis(hex-1-ene)?
but-1-ene;hexakis(hex-1-ene) has a molecular weight of 561.08 g/mol, XLogP of 15.76, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;hexakis(hex-1-ene) is sourced from PubChem (CID 161273113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).