dilithium;carbanide;heptan-1-olate

C8H18Li2O — CID 135006028

IUPACdilithium;carbanide;heptan-1-olate
SMILESCCCCCCC[O-].[CH3-].[Li+].[Li+]
InChIInChI=1S/C7H15O.CH3.2Li/c1-2-3-4-5-6-7-8;;;/h2-7H2,1H3;1H3;;/q2*-1;2*+1
InChIKeyNLXLKUWIEXKASJ-UHFFFAOYSA-N
MW144.11 g/mol
LogP-4.22
Rot. Bonds5

About dilithium;carbanide;heptan-1-olate

dilithium;carbanide;heptan-1-olate (PubChem CID 135006028) has the molecular formula C8H18Li2O and a molecular weight of 144.11 g/mol. Its IUPAC name is dilithium;carbanide;heptan-1-olate.

Molecular Properties

Compound Namedilithium;carbanide;heptan-1-olate
PubChem CID135006028
Molecular FormulaC8H18Li2O
Molecular Weight144.11 g/mol
Exact Mass144.17
IUPAC Namedilithium;carbanide;heptan-1-olate
SMILESCCCCCCC[O-].[CH3-].[Li+].[Li+]
InChIInChI=1S/C7H15O.CH3.2Li/c1-2-3-4-5-6-7-8;;;/h2-7H2,1H3;1H3;;/q2*-1;2*+1
InChIKeyNLXLKUWIEXKASJ-UHFFFAOYSA-N
XLogP-4.22
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.11
LogP ≤ 5-4.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of dilithium;carbanide;heptan-1-olate?
The IUPAC name of dilithium;carbanide;heptan-1-olate (CID 135006028) is dilithium;carbanide;heptan-1-olate.
What is the SMILES notation for dilithium;carbanide;heptan-1-olate?
The canonical SMILES for dilithium;carbanide;heptan-1-olate is CCCCCCC[O-].[CH3-].[Li+].[Li+].
What is the InChIKey of dilithium;carbanide;heptan-1-olate?
The InChIKey is NLXLKUWIEXKASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O.CH3.2Li/c1-2-3-4-5-6-7-8;;;/h2-7H2,1H3;1H3;;/q2*-1;2*+1.
What are the key properties of dilithium;carbanide;heptan-1-olate?
dilithium;carbanide;heptan-1-olate has a molecular weight of 144.11 g/mol, XLogP of -4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;carbanide;heptan-1-olate is sourced from PubChem (CID 135006028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).