sodium;hydride;3-methylbutan-1-ol

C5H13NaO — CID 173128134

IUPACsodium;hydride;3-methylbutan-1-ol
SMILESCC(C)CCO.[H-].[Na+]
InChIInChI=1S/C5H12O.Na.H/c1-5(2)3-4-6;;/h5-6H,3-4H2,1-2H3;;/q;+1;-1
InChIKeyCMNAFGATDABOOQ-UHFFFAOYSA-N
MW112.15 g/mol
LogP-1.86
Rot. Bonds2

About sodium;hydride;3-methylbutan-1-ol

sodium;hydride;3-methylbutan-1-ol (PubChem CID 173128134) has the molecular formula C5H13NaO and a molecular weight of 112.15 g/mol. Its IUPAC name is sodium;hydride;3-methylbutan-1-ol.

Molecular Properties

Compound Namesodium;hydride;3-methylbutan-1-ol
PubChem CID173128134
Molecular FormulaC5H13NaO
Molecular Weight112.15 g/mol
Exact Mass112.09
IUPAC Namesodium;hydride;3-methylbutan-1-ol
SMILESCC(C)CCO.[H-].[Na+]
InChIInChI=1S/C5H12O.Na.H/c1-5(2)3-4-6;;/h5-6H,3-4H2,1-2H3;;/q;+1;-1
InChIKeyCMNAFGATDABOOQ-UHFFFAOYSA-N
XLogP-1.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 5-1.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 174734037
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acetonitrile;3-methylbutan-1-ol;hydrate
CID 87881666
bis(3-methylbutan-1-ol);sulfuric acid
CID 71441144
chloro hypochlorite;bis(3-methylbutan-1-ol);vanadium
CID 88737111
acetonitrile;3-methylbutan-1-ol
CID 161349190
sodium;hydride;8-methylnonan-1-ol
CID 175362951
formyl chloride;3-methylbutan-1-ol
CID 88598720
3-methylbutan-1-ol;9-methyldecan-1-ol;11-methyldodecan-1-ol;6-methylheptan-1-ol;5-methylhexan-1-ol;8-methylnonan-1-ol;7-methyloctan-1-ol;4-methylpentan-1-ol;12-methyltridecan-1-ol;10-methylundecan-1-ol
CID 161175838
2-methylbutan-2-ol;3-methylbutan-1-ol
CID 159050772
azane;ethanol;hexane;3-methylbutan-1-ol;hydrate
CID 174918967

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-methylbutan-1-ol?
The IUPAC name of sodium;hydride;3-methylbutan-1-ol (CID 173128134) is sodium;hydride;3-methylbutan-1-ol.
What is the SMILES notation for sodium;hydride;3-methylbutan-1-ol?
The canonical SMILES for sodium;hydride;3-methylbutan-1-ol is CC(C)CCO.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-methylbutan-1-ol?
The InChIKey is CMNAFGATDABOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.Na.H/c1-5(2)3-4-6;;/h5-6H,3-4H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;hydride;3-methylbutan-1-ol?
sodium;hydride;3-methylbutan-1-ol has a molecular weight of 112.15 g/mol, XLogP of -1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-methylbutan-1-ol is sourced from PubChem (CID 173128134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).