tetrakis(nonane);bis(pentane)

C46H104 — CID 158390230

IUPACtetrakis(nonane);bis(pentane)
SMILESCCCCC.CCCCC.CCCCCCCCC.CCCCCCCCC.CCCCCCCCC.CCCCCCCCC
InChIInChI=1S/4C9H20.2C5H12/c4*1-3-5-7-9-8-6-4-2;2*1-3-5-4-2/h4*3-9H2,1-2H3;2*3-5H2,1-2H3
InChIKeyGWWFCOBZQREXBL-UHFFFAOYSA-N
MW657.34 g/mol
LogP19.42
Rot. Bonds28

About tetrakis(nonane);bis(pentane)

tetrakis(nonane);bis(pentane) (PubChem CID 158390230) has the molecular formula C46H104 and a molecular weight of 657.34 g/mol. Its IUPAC name is tetrakis(nonane);bis(pentane).

Molecular Properties

Compound Nametetrakis(nonane);bis(pentane)
PubChem CID158390230
Molecular FormulaC46H104
Molecular Weight657.34 g/mol
Exact Mass656.81
IUPAC Nametetrakis(nonane);bis(pentane)
SMILESCCCCC.CCCCC.CCCCCCCCC.CCCCCCCCC.CCCCCCCCC.CCCCCCCCC
InChIInChI=1S/4C9H20.2C5H12/c4*1-3-5-7-9-8-6-4-2;2*1-3-5-4-2/h4*3-9H2,1-2H3;2*3-5H2,1-2H3
InChIKeyGWWFCOBZQREXBL-UHFFFAOYSA-N
XLogP19.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.34
LogP ≤ 519.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

heptane;hexane;octane;pentane
CID 159214735
octane;pentane
CID 19101448
ethane;heptane;pentane
CID 142269041
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of tetrakis(nonane);bis(pentane)?
The IUPAC name of tetrakis(nonane);bis(pentane) (CID 158390230) is tetrakis(nonane);bis(pentane).
What is the SMILES notation for tetrakis(nonane);bis(pentane)?
The canonical SMILES for tetrakis(nonane);bis(pentane) is CCCCC.CCCCC.CCCCCCCCC.CCCCCCCCC.CCCCCCCCC.CCCCCCCCC.
What is the InChIKey of tetrakis(nonane);bis(pentane)?
The InChIKey is GWWFCOBZQREXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H20.2C5H12/c4*1-3-5-7-9-8-6-4-2;2*1-3-5-4-2/h4*3-9H2,1-2H3;2*3-5H2,1-2H3.
What are the key properties of tetrakis(nonane);bis(pentane)?
tetrakis(nonane);bis(pentane) has a molecular weight of 657.34 g/mol, XLogP of 19.42, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(nonane);bis(pentane) is sourced from PubChem (CID 158390230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).