dilithium;carbanide;2,2-dimethylhexan-1-olate

C9H20Li2O — CID 135006496

IUPACdilithium;carbanide;2,2-dimethylhexan-1-olate
SMILESCCCCC(C)(C)C[O-].[CH3-].[Li+].[Li+]
InChIInChI=1S/C8H17O.CH3.2Li/c1-4-5-6-8(2,3)7-9;;;/h4-7H2,1-3H3;1H3;;/q2*-1;2*+1
InChIKeyVZTDLRZYGFVZGD-UHFFFAOYSA-N
MW158.14 g/mol
LogP-3.98
Rot. Bonds4

About dilithium;carbanide;2,2-dimethylhexan-1-olate

dilithium;carbanide;2,2-dimethylhexan-1-olate (PubChem CID 135006496) has the molecular formula C9H20Li2O and a molecular weight of 158.14 g/mol. Its IUPAC name is dilithium;carbanide;2,2-dimethylhexan-1-olate.

Molecular Properties

Compound Namedilithium;carbanide;2,2-dimethylhexan-1-olate
PubChem CID135006496
Molecular FormulaC9H20Li2O
Molecular Weight158.14 g/mol
Exact Mass158.18
IUPAC Namedilithium;carbanide;2,2-dimethylhexan-1-olate
SMILESCCCCC(C)(C)C[O-].[CH3-].[Li+].[Li+]
InChIInChI=1S/C8H17O.CH3.2Li/c1-4-5-6-8(2,3)7-9;;;/h4-7H2,1-3H3;1H3;;/q2*-1;2*+1
InChIKeyVZTDLRZYGFVZGD-UHFFFAOYSA-N
XLogP-3.98
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 5-3.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
lithium 2-methylhexan-2-olate
CID 23702344
16,16,21,21-tetramethylhexatriacontane
CID 174880889
2,2-dimethylhexane
CID 169424592
3,3-dimethylheptane;ethane-1,2-diol
CID 90284341
5,5-dimethylnonane;5-methylnonane
CID 158755954
3,3-dimethylheptyl(methyl)azanium
CID 144987643
potassium 2,2-dimethylbutan-1-olate
CID 87821527
azane;2,2-dimethylhexane
CID 161105081
3,3-dimethyloctane;ethane
CID 145013248
3,3-dimethyldodecane
CID 15930786
3,3-dimethylpentadecane
CID 86034940

Frequently Asked Questions

What is the IUPAC name of dilithium;carbanide;2,2-dimethylhexan-1-olate?
The IUPAC name of dilithium;carbanide;2,2-dimethylhexan-1-olate (CID 135006496) is dilithium;carbanide;2,2-dimethylhexan-1-olate.
What is the SMILES notation for dilithium;carbanide;2,2-dimethylhexan-1-olate?
The canonical SMILES for dilithium;carbanide;2,2-dimethylhexan-1-olate is CCCCC(C)(C)C[O-].[CH3-].[Li+].[Li+].
What is the InChIKey of dilithium;carbanide;2,2-dimethylhexan-1-olate?
The InChIKey is VZTDLRZYGFVZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O.CH3.2Li/c1-4-5-6-8(2,3)7-9;;;/h4-7H2,1-3H3;1H3;;/q2*-1;2*+1.
What are the key properties of dilithium;carbanide;2,2-dimethylhexan-1-olate?
dilithium;carbanide;2,2-dimethylhexan-1-olate has a molecular weight of 158.14 g/mol, XLogP of -3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;carbanide;2,2-dimethylhexan-1-olate is sourced from PubChem (CID 135006496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).