dilithium;carbanide;hexane

C7H16Li2 — CID 174334686

IUPACdilithium;carbanide;hexane
SMILES[CH2-]CCCCC.[CH3-].[Li+].[Li+]
InChIInChI=1S/C6H13.CH3.2Li/c1-3-5-6-4-2;;;/h1,3-6H2,2H3;1H3;;/q2*-1;2*+1
InChIKeyVELRIEYCURCFEF-UHFFFAOYSA-N
MW114.09 g/mol
LogP-3.14
Rot. Bonds3

About dilithium;carbanide;hexane

dilithium;carbanide;hexane (PubChem CID 174334686) has the molecular formula C7H16Li2 and a molecular weight of 114.09 g/mol. Its IUPAC name is dilithium;carbanide;hexane.

Molecular Properties

Compound Namedilithium;carbanide;hexane
PubChem CID174334686
Molecular FormulaC7H16Li2
Molecular Weight114.09 g/mol
Exact Mass114.16
IUPAC Namedilithium;carbanide;hexane
SMILES[CH2-]CCCCC.[CH3-].[Li+].[Li+]
InChIInChI=1S/C6H13.CH3.2Li/c1-3-5-6-4-2;;;/h1,3-6H2,2H3;1H3;;/q2*-1;2*+1
InChIKeyVELRIEYCURCFEF-UHFFFAOYSA-N
XLogP-3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.09
LogP ≤ 5-3.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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heptadecane
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CID 161383959
cerium;dodecane
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dodecane;zirconium
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magnesium;hexane;pentane
CID 19799394
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CID 150964196

Frequently Asked Questions

What is the IUPAC name of dilithium;carbanide;hexane?
The IUPAC name of dilithium;carbanide;hexane (CID 174334686) is dilithium;carbanide;hexane.
What is the SMILES notation for dilithium;carbanide;hexane?
The canonical SMILES for dilithium;carbanide;hexane is [CH2-]CCCCC.[CH3-].[Li+].[Li+].
What is the InChIKey of dilithium;carbanide;hexane?
The InChIKey is VELRIEYCURCFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13.CH3.2Li/c1-3-5-6-4-2;;;/h1,3-6H2,2H3;1H3;;/q2*-1;2*+1.
What are the key properties of dilithium;carbanide;hexane?
dilithium;carbanide;hexane has a molecular weight of 114.09 g/mol, XLogP of -3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;carbanide;hexane is sourced from PubChem (CID 174334686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).