lithium 2,2-dimethylpropan-1-olate

C5H11LiO — CID 23661849

IUPAClithium 2,2-dimethylpropan-1-olate
SMILESCC(C)(C)C[O-].[Li+]
InChIInChI=1S/C5H11O.Li/c1-5(2,3)4-6;/h4H2,1-3H3;/q-1;+1
InChIKeyFWWKHWVTAAAMSP-UHFFFAOYSA-N
MW94.08 g/mol
LogP-2.60
Rot. Bonds

About lithium 2,2-dimethylpropan-1-olate

lithium 2,2-dimethylpropan-1-olate (PubChem CID 23661849) has the molecular formula C5H11LiO and a molecular weight of 94.08 g/mol. Its IUPAC name is lithium 2,2-dimethylpropan-1-olate.

Molecular Properties

Compound Namelithium 2,2-dimethylpropan-1-olate
PubChem CID23661849
Molecular FormulaC5H11LiO
Molecular Weight94.08 g/mol
Exact Mass94.10
IUPAC Namelithium 2,2-dimethylpropan-1-olate
SMILESCC(C)(C)C[O-].[Li+]
InChIInChI=1S/C5H11O.Li/c1-5(2,3)4-6;/h4H2,1-3H3;/q-1;+1
InChIKeyFWWKHWVTAAAMSP-UHFFFAOYSA-N
XLogP-2.60
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.08
LogP ≤ 5-2.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methoxy-2,2-dimethylpropane
CID 136871
2,2-Dimethylpropan-1-olate
CID 12555050
Hypochlorous acid 2,2-dimethylpropyl ester
CID 12583348
Sodium 2,2-dimethylpropan-1-olate
CID 23672300
Potassium 2,2-dimethylpropan-1-olate
CID 23675521
i-Butoxylithium
CID 23695069
2,2-Dimethylpropyl hypofluorite
CID 140411092
Dilithium;2-methanidyl-2-methylpropan-1-olate
CID 23693268
CID 5483709
CID 5483709
2,2-Dimethyl-1-sulfanyloxypropane
CID 21740550
2,2-Dimethylpropan-1-olate;rubidium(1+)
CID 23679515
CID 59694555
CID 59694555

Frequently Asked Questions

What is the IUPAC name of lithium 2,2-dimethylpropan-1-olate?
The IUPAC name of lithium 2,2-dimethylpropan-1-olate (CID 23661849) is lithium 2,2-dimethylpropan-1-olate.
What is the SMILES notation for lithium 2,2-dimethylpropan-1-olate?
The canonical SMILES for lithium 2,2-dimethylpropan-1-olate is CC(C)(C)C[O-].[Li+].
What is the InChIKey of lithium 2,2-dimethylpropan-1-olate?
The InChIKey is FWWKHWVTAAAMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O.Li/c1-5(2,3)4-6;/h4H2,1-3H3;/q-1;+1.
What are the key properties of lithium 2,2-dimethylpropan-1-olate?
lithium 2,2-dimethylpropan-1-olate has a molecular weight of 94.08 g/mol, XLogP of -2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,2-dimethylpropan-1-olate is sourced from PubChem (CID 23661849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).