lithium 2-methylhexan-2-olate

C7H15LiO — CID 23702344

IUPAClithium 2-methylhexan-2-olate
SMILESCCCCC(C)(C)[O-].[Li+]
InChIInChI=1S/C7H15O.Li/c1-4-5-6-7(2,3)8;/h4-6H2,1-3H3;/q-1;+1
InChIKeyXZNXIJGYZFCMQZ-UHFFFAOYSA-N
MW122.14 g/mol
LogP-1.68
Rot. Bonds3

About lithium 2-methylhexan-2-olate

lithium 2-methylhexan-2-olate (PubChem CID 23702344) has the molecular formula C7H15LiO and a molecular weight of 122.14 g/mol. Its IUPAC name is lithium 2-methylhexan-2-olate.

Molecular Properties

Compound Namelithium 2-methylhexan-2-olate
PubChem CID23702344
Molecular FormulaC7H15LiO
Molecular Weight122.14 g/mol
Exact Mass122.13
IUPAC Namelithium 2-methylhexan-2-olate
SMILESCCCCC(C)(C)[O-].[Li+]
InChIInChI=1S/C7H15O.Li/c1-4-5-6-7(2,3)8;/h4-6H2,1-3H3;/q-1;+1
InChIKeyXZNXIJGYZFCMQZ-UHFFFAOYSA-N
XLogP-1.68
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 5-1.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tetrakis(2-methylpentan-2-olate);titanium(4+)
CID 22496813
sodium 2-methylpentan-2-olate
CID 23694755
copper;pentane-1,1,1-triolate
CID 162190471
2,2-dimethylhexane
CID 169424592
dilithium;carbanide;2,2-dimethylhexan-1-olate
CID 135006496
5,5-difluorononane
CID 21410163
azane;2,2-dimethylhexane
CID 161105081
5-butyl-5-methylpentadecane
CID 174700907
ethane;2-fluoro-2-methylhexane
CID 142890341
gold;2-methylhexan-2-ol
CID 18513333
5,5,8,8-tetramethyldodec-6-yne
CID 173245990
5,5,6,6-tetramethyltridecane
CID 173349107

Frequently Asked Questions

What is the IUPAC name of lithium 2-methylhexan-2-olate?
The IUPAC name of lithium 2-methylhexan-2-olate (CID 23702344) is lithium 2-methylhexan-2-olate.
What is the SMILES notation for lithium 2-methylhexan-2-olate?
The canonical SMILES for lithium 2-methylhexan-2-olate is CCCCC(C)(C)[O-].[Li+].
What is the InChIKey of lithium 2-methylhexan-2-olate?
The InChIKey is XZNXIJGYZFCMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O.Li/c1-4-5-6-7(2,3)8;/h4-6H2,1-3H3;/q-1;+1.
What are the key properties of lithium 2-methylhexan-2-olate?
lithium 2-methylhexan-2-olate has a molecular weight of 122.14 g/mol, XLogP of -1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methylhexan-2-olate is sourced from PubChem (CID 23702344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).