lithium;hydride;3-methylbutan-2-one

C5H11LiO — CID 173095274

IUPAClithium;hydride;3-methylbutan-2-one
SMILESCC(=O)C(C)C.[H-].[Li+]
InChIInChI=1S/C5H10O.Li.H/c1-4(2)5(3)6;;/h4H,1-3H3;;/q;+1;-1
InChIKeyIUOWQMQKMQPYKX-UHFFFAOYSA-N
MW94.08 g/mol
LogP-1.65
Rot. Bonds1

About lithium;hydride;3-methylbutan-2-one

lithium;hydride;3-methylbutan-2-one (PubChem CID 173095274) has the molecular formula C5H11LiO and a molecular weight of 94.08 g/mol. Its IUPAC name is lithium;hydride;3-methylbutan-2-one.

Molecular Properties

Compound Namelithium;hydride;3-methylbutan-2-one
PubChem CID173095274
Molecular FormulaC5H11LiO
Molecular Weight94.08 g/mol
Exact Mass94.10
IUPAC Namelithium;hydride;3-methylbutan-2-one
SMILESCC(=O)C(C)C.[H-].[Li+]
InChIInChI=1S/C5H10O.Li.H/c1-4(2)5(3)6;;/h4H,1-3H3;;/q;+1;-1
InChIKeyIUOWQMQKMQPYKX-UHFFFAOYSA-N
XLogP-1.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.08
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-hydroxybutan-2-one;3-methylbutan-2-one
CID 161241021
bis(3-methylbutan-2-one);bis(2-methylsulfonylpropane)
CID 158863389
lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602
hydride;3-methylbutan-2-one;3-methylbut-2-en-2-ol;3-methylbut-2-en-2-olate
CID 160856558
3-methylbutan-2-one;3-methylpentan-2-one
CID 159429251
methane;3-methylbutan-2-one;2,2,4-trimethylpentan-3-one
CID 159361320
(3R)-3-fluorobutan-2-one
CID 638120
[(2S)-3-oxo(313C)butan-2-yl](15N)azanium
CID 167635935
dilithium bis(2-methylpropanoate)
CID 86626069
acetic acid;2,4-dimethylpentan-3-one
CID 87250045
2-methylpropanamide;bis(propan-2-one)
CID 174404145
dilithium;hydride;2-hydroxypropanoic acid
CID 174731520

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;3-methylbutan-2-one?
The IUPAC name of lithium;hydride;3-methylbutan-2-one (CID 173095274) is lithium;hydride;3-methylbutan-2-one.
What is the SMILES notation for lithium;hydride;3-methylbutan-2-one?
The canonical SMILES for lithium;hydride;3-methylbutan-2-one is CC(=O)C(C)C.[H-].[Li+].
What is the InChIKey of lithium;hydride;3-methylbutan-2-one?
The InChIKey is IUOWQMQKMQPYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.Li.H/c1-4(2)5(3)6;;/h4H,1-3H3;;/q;+1;-1.
What are the key properties of lithium;hydride;3-methylbutan-2-one?
lithium;hydride;3-methylbutan-2-one has a molecular weight of 94.08 g/mol, XLogP of -1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;3-methylbutan-2-one is sourced from PubChem (CID 173095274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).