dilithium;carbanide;hexan-1-olate

C7H16Li2O — CID 135057041

IUPACdilithium;carbanide;hexan-1-olate
SMILESCCCCCC[O-].[CH3-].[Li+].[Li+]
InChIInChI=1S/C6H13O.CH3.2Li/c1-2-3-4-5-6-7;;;/h2-6H2,1H3;1H3;;/q2*-1;2*+1
InChIKeyINSVPZBAMPCVSE-UHFFFAOYSA-N
MW130.09 g/mol
LogP-4.61
Rot. Bonds4

About dilithium;carbanide;hexan-1-olate

dilithium;carbanide;hexan-1-olate (PubChem CID 135057041) has the molecular formula C7H16Li2O and a molecular weight of 130.09 g/mol. Its IUPAC name is dilithium;carbanide;hexan-1-olate.

Molecular Properties

Compound Namedilithium;carbanide;hexan-1-olate
PubChem CID135057041
Molecular FormulaC7H16Li2O
Molecular Weight130.09 g/mol
Exact Mass130.15
IUPAC Namedilithium;carbanide;hexan-1-olate
SMILESCCCCCC[O-].[CH3-].[Li+].[Li+]
InChIInChI=1S/C6H13O.CH3.2Li/c1-2-3-4-5-6-7;;;/h2-6H2,1H3;1H3;;/q2*-1;2*+1
InChIKeyINSVPZBAMPCVSE-UHFFFAOYSA-N
XLogP-4.61
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.09
LogP ≤ 5-4.61
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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Related Compounds

Hexyl methyl ether
CID 78484
Lithium 1-hexanolate
CID 23678648
Hexan-1-olate
CID 22606972
Dilithium;carbanide;heptan-1-olate
CID 135006028
Dilithium;hexan-1-olate;pentan-1-olate
CID 22152487
Dilithium;1-hexoxyhexane
CID 22915545
1-(Tritiomethoxy)hexane
CID 59047601
Hexoxygermane
CID 88714846
Dilithium;hexan-1-olate
CID 166060241
Dilithium;hexan-1-olate;pentan-1-olate
CID 173388999
CID 5488850
CID 5488850

Frequently Asked Questions

What is the IUPAC name of dilithium;carbanide;hexan-1-olate?
The IUPAC name of dilithium;carbanide;hexan-1-olate (CID 135057041) is dilithium;carbanide;hexan-1-olate.
What is the SMILES notation for dilithium;carbanide;hexan-1-olate?
The canonical SMILES for dilithium;carbanide;hexan-1-olate is CCCCCC[O-].[CH3-].[Li+].[Li+].
What is the InChIKey of dilithium;carbanide;hexan-1-olate?
The InChIKey is INSVPZBAMPCVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O.CH3.2Li/c1-2-3-4-5-6-7;;;/h2-6H2,1H3;1H3;;/q2*-1;2*+1.
What are the key properties of dilithium;carbanide;hexan-1-olate?
dilithium;carbanide;hexan-1-olate has a molecular weight of 130.09 g/mol, XLogP of -4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;carbanide;hexan-1-olate is sourced from PubChem (CID 135057041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).