sodium;octakis(decane);hydride

C80H177Na — CID 173398930

IUPACsodium;octakis(decane);hydride
SMILESCCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.[H-].[Na+]
InChIInChI=1S/8C10H22.Na.H/c8*1-3-5-7-9-10-8-6-4-2;;/h8*3-10H2,1-2H3;;/q;;;;;;;;+1;-1
InChIKeyVBYSXAXDSSCSQG-UHFFFAOYSA-N
MW1162.29 g/mol
LogP30.29
Rot. Bonds56

About sodium;octakis(decane);hydride

sodium;octakis(decane);hydride (PubChem CID 173398930) has the molecular formula C80H177Na and a molecular weight of 1162.29 g/mol. Its IUPAC name is sodium;octakis(decane);hydride.

Molecular Properties

Compound Namesodium;octakis(decane);hydride
PubChem CID173398930
Molecular FormulaC80H177Na
Molecular Weight1162.29 g/mol
Exact Mass1161.37
IUPAC Namesodium;octakis(decane);hydride
SMILESCCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.[H-].[Na+]
InChIInChI=1S/8C10H22.Na.H/c8*1-3-5-7-9-10-8-6-4-2;;/h8*3-10H2,1-2H3;;/q;;;;;;;;+1;-1
InChIKeyVBYSXAXDSSCSQG-UHFFFAOYSA-N
XLogP30.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds56
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001162.29
LogP ≤ 530.29
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

sodium;hydride;tridecane
CID 172995973
magnesium;sodium;hydride;tetradecane
CID 173272965
disodium;dodecane;hydride;hydrochloride
CID 175364607
lithium;dodecane;hydride
CID 173115706
trilithium;hydride;icosane
CID 173415382
calcium;hydride;octane
CID 173403164
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
dohexacontane
CID 522644

Frequently Asked Questions

What is the IUPAC name of sodium;octakis(decane);hydride?
The IUPAC name of sodium;octakis(decane);hydride (CID 173398930) is sodium;octakis(decane);hydride.
What is the SMILES notation for sodium;octakis(decane);hydride?
The canonical SMILES for sodium;octakis(decane);hydride is CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.[H-].[Na+].
What is the InChIKey of sodium;octakis(decane);hydride?
The InChIKey is VBYSXAXDSSCSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/8C10H22.Na.H/c8*1-3-5-7-9-10-8-6-4-2;;/h8*3-10H2,1-2H3;;/q;;;;;;;;+1;-1.
What are the key properties of sodium;octakis(decane);hydride?
sodium;octakis(decane);hydride has a molecular weight of 1162.29 g/mol, XLogP of 30.29, 56 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;octakis(decane);hydride is sourced from PubChem (CID 173398930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).