sodium;2,2-dimethylbutan-1-ol;hydride

C6H15NaO — CID 174392130

IUPACsodium;2,2-dimethylbutan-1-ol;hydride
SMILESCCC(C)(C)CO.[H-].[Na+]
InChIInChI=1S/C6H14O.Na.H/c1-4-6(2,3)5-7;;/h7H,4-5H2,1-3H3;;/q;+1;-1
InChIKeyVTEKHRVZOKGGCZ-UHFFFAOYSA-N
MW126.17 g/mol
LogP-1.47
Rot. Bonds2

About sodium;2,2-dimethylbutan-1-ol;hydride

sodium;2,2-dimethylbutan-1-ol;hydride (PubChem CID 174392130) has the molecular formula C6H15NaO and a molecular weight of 126.17 g/mol. Its IUPAC name is sodium;2,2-dimethylbutan-1-ol;hydride.

Molecular Properties

Compound Namesodium;2,2-dimethylbutan-1-ol;hydride
PubChem CID174392130
Molecular FormulaC6H15NaO
Molecular Weight126.17 g/mol
Exact Mass126.10
IUPAC Namesodium;2,2-dimethylbutan-1-ol;hydride
SMILESCCC(C)(C)CO.[H-].[Na+]
InChIInChI=1S/C6H14O.Na.H/c1-4-6(2,3)5-7;;/h7H,4-5H2,1-3H3;;/q;+1;-1
InChIKeyVTEKHRVZOKGGCZ-UHFFFAOYSA-N
XLogP-1.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylbutan-1-ol;2,2-dimethylpropane;2,2-dimethylpropane-1,3-diol;2,2-dimethylpropan-1-ol;methane;propan-2-ol
CID 159756874
2,2-bis(trideuteriomethyl)butan-1-ol
CID 45039770
2,2-dimethylpropane-1,3-diol;hydrobromide
CID 162005939
sodium;2,2-dimethylpropan-1-ol;hydride
CID 174669308
2,2-dimethylpropane-1,3-diol;dihydrochloride
CID 172807554
CID 87364467
CID 87364467
sodium;hydride;bis(2-methylbutan-2-ol)
CID 174951100
3,3-dimethylpentane;ethane;methanol
CID 144527462
butane;2,2-dimethylbutan-1-ol;bis(1-ethoxypropane);bis(hexane)
CID 158870605
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076

Frequently Asked Questions

What is the IUPAC name of sodium;2,2-dimethylbutan-1-ol;hydride?
The IUPAC name of sodium;2,2-dimethylbutan-1-ol;hydride (CID 174392130) is sodium;2,2-dimethylbutan-1-ol;hydride.
What is the SMILES notation for sodium;2,2-dimethylbutan-1-ol;hydride?
The canonical SMILES for sodium;2,2-dimethylbutan-1-ol;hydride is CCC(C)(C)CO.[H-].[Na+].
What is the InChIKey of sodium;2,2-dimethylbutan-1-ol;hydride?
The InChIKey is VTEKHRVZOKGGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.Na.H/c1-4-6(2,3)5-7;;/h7H,4-5H2,1-3H3;;/q;+1;-1.
What are the key properties of sodium;2,2-dimethylbutan-1-ol;hydride?
sodium;2,2-dimethylbutan-1-ol;hydride has a molecular weight of 126.17 g/mol, XLogP of -1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,2-dimethylbutan-1-ol;hydride is sourced from PubChem (CID 174392130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).