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

C5H13NaO — CID 174669308

IUPACsodium;2,2-dimethylpropan-1-ol;hydride
SMILESCC(C)(C)CO.[H-].[Na+]
InChIInChI=1S/C5H12O.Na.H/c1-5(2,3)4-6;;/h6H,4H2,1-3H3;;/q;+1;-1
InChIKeySRLUTJQDHGWBNR-UHFFFAOYSA-N
MW112.15 g/mol
LogP-1.86
Rot. Bonds

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

sodium;2,2-dimethylpropan-1-ol;hydride (PubChem CID 174669308) has the molecular formula C5H13NaO and a molecular weight of 112.15 g/mol. Its IUPAC name is sodium;2,2-dimethylpropan-1-ol;hydride.

Molecular Properties

Compound Namesodium;2,2-dimethylpropan-1-ol;hydride
PubChem CID174669308
Molecular FormulaC5H13NaO
Molecular Weight112.15 g/mol
Exact Mass112.09
IUPAC Namesodium;2,2-dimethylpropan-1-ol;hydride
SMILESCC(C)(C)CO.[H-].[Na+]
InChIInChI=1S/C5H12O.Na.H/c1-5(2,3)4-6;;/h6H,4H2,1-3H3;;/q;+1;-1
InChIKeySRLUTJQDHGWBNR-UHFFFAOYSA-N
XLogP-1.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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

alumane;2,2-dimethylpropan-1-ol
CID 174479314
CID 6394316
CID 6394316
2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane
CID 159215463
dihydroxy(oxo)vanadium;2,2-dimethylpropan-1-ol
CID 21481404
sodium;2,2-dimethylbutan-1-ol;hydride
CID 174392130
sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride
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2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348
2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid)
CID 175907973
2,2-di(methyl)propan-1-ol
CID 135993184
azane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 88666778
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane
CID 157350267
2,2-dimethylpropane-1,3-diol;dihydrochloride
CID 172807554

Frequently Asked Questions

What is the IUPAC name of sodium;2,2-dimethylpropan-1-ol;hydride?
The IUPAC name of sodium;2,2-dimethylpropan-1-ol;hydride (CID 174669308) is sodium;2,2-dimethylpropan-1-ol;hydride.
What is the SMILES notation for sodium;2,2-dimethylpropan-1-ol;hydride?
The canonical SMILES for sodium;2,2-dimethylpropan-1-ol;hydride is CC(C)(C)CO.[H-].[Na+].
What is the InChIKey of sodium;2,2-dimethylpropan-1-ol;hydride?
The InChIKey is SRLUTJQDHGWBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.Na.H/c1-5(2,3)4-6;;/h6H,4H2,1-3H3;;/q;+1;-1.
What are the key properties of sodium;2,2-dimethylpropan-1-ol;hydride?
sodium;2,2-dimethylpropan-1-ol;hydride has a molecular weight of 112.15 g/mol, XLogP of -1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,2-dimethylpropan-1-ol;hydride is sourced from PubChem (CID 174669308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).