sodium;2-methylpropan-1-ol;chloride

C4H10ClNaO — CID 172733950

IUPACsodium;2-methylpropan-1-ol;chloride
SMILESCC(C)CO.[Cl-].[Na+]
InChIInChI=1S/C4H10O.ClH.Na/c1-4(2)3-5;;/h4-5H,3H2,1-2H3;1H;/q;;+1/p-1
InChIKeyIEEPSZYZXFRJFG-UHFFFAOYSA-M
MW132.57 g/mol
LogP-5.36
Rot. Bonds1

About sodium;2-methylpropan-1-ol;chloride

sodium;2-methylpropan-1-ol;chloride (PubChem CID 172733950) has the molecular formula C4H10ClNaO and a molecular weight of 132.57 g/mol. Its IUPAC name is sodium;2-methylpropan-1-ol;chloride.

Molecular Properties

Compound Namesodium;2-methylpropan-1-ol;chloride
PubChem CID172733950
Molecular FormulaC4H10ClNaO
Molecular Weight132.57 g/mol
Exact Mass132.03
IUPAC Namesodium;2-methylpropan-1-ol;chloride
SMILESCC(C)CO.[Cl-].[Na+]
InChIInChI=1S/C4H10O.ClH.Na/c1-4(2)3-5;;/h4-5H,3H2,1-2H3;1H;/q;;+1/p-1
InChIKeyIEEPSZYZXFRJFG-UHFFFAOYSA-M
XLogP-5.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.57
LogP ≤ 5-5.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-methylpropan-1-ol;zirconium(3+)
CID 150803706
lanthanum;tris(2-methylpropan-1-ol)
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tris(2-methylpropan-1-ol);titanium
CID 87503095
2-methylpropan-1-ol;zirconium;hydrochloride
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CID 174321240
chloroform;2-methylpropan-1-ol
CID 22625576
magnesium;hydride;2-methylpropan-1-ol;hydroiodide
CID 174198179
2,2-dimethylpropane;2-methylpropan-1-ol
CID 158369394
magnesium;hydride;2-methylpropan-1-ol;hydrochloride
CID 173490256

Frequently Asked Questions

What is the IUPAC name of sodium;2-methylpropan-1-ol;chloride?
The IUPAC name of sodium;2-methylpropan-1-ol;chloride (CID 172733950) is sodium;2-methylpropan-1-ol;chloride.
What is the SMILES notation for sodium;2-methylpropan-1-ol;chloride?
The canonical SMILES for sodium;2-methylpropan-1-ol;chloride is CC(C)CO.[Cl-].[Na+].
What is the InChIKey of sodium;2-methylpropan-1-ol;chloride?
The InChIKey is IEEPSZYZXFRJFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O.ClH.Na/c1-4(2)3-5;;/h4-5H,3H2,1-2H3;1H;/q;;+1/p-1.
What are the key properties of sodium;2-methylpropan-1-ol;chloride?
sodium;2-methylpropan-1-ol;chloride has a molecular weight of 132.57 g/mol, XLogP of -5.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-methylpropan-1-ol;chloride is sourced from PubChem (CID 172733950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).