sodium;2-methylpropane;hydrate

C4H11NaO — CID 172863032

IUPACsodium;2-methylpropane;hydrate
SMILESC[C-](C)C.O.[Na+]
InChIInChI=1S/C4H9.Na.H2O/c1-4(2)3;;/h1-3H3;;1H2/q-1;+1;
InChIKeyYIQZXHRLCNLNKK-UHFFFAOYSA-N
MW98.12 g/mol
LogP-2.20
Rot. Bonds

About sodium;2-methylpropane;hydrate

sodium;2-methylpropane;hydrate (PubChem CID 172863032) has the molecular formula C4H11NaO and a molecular weight of 98.12 g/mol. Its IUPAC name is sodium;2-methylpropane;hydrate.

Molecular Properties

Compound Namesodium;2-methylpropane;hydrate
PubChem CID172863032
Molecular FormulaC4H11NaO
Molecular Weight98.12 g/mol
Exact Mass98.07
IUPAC Namesodium;2-methylpropane;hydrate
SMILESC[C-](C)C.O.[Na+]
InChIInChI=1S/C4H9.Na.H2O/c1-4(2)3;;/h1-3H3;;1H2/q-1;+1;
InChIKeyYIQZXHRLCNLNKK-UHFFFAOYSA-N
XLogP-2.20
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.12
LogP ≤ 5-2.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;2-methylpropane;hydrate?
The IUPAC name of sodium;2-methylpropane;hydrate (CID 172863032) is sodium;2-methylpropane;hydrate.
What is the SMILES notation for sodium;2-methylpropane;hydrate?
The canonical SMILES for sodium;2-methylpropane;hydrate is C[C-](C)C.O.[Na+].
What is the InChIKey of sodium;2-methylpropane;hydrate?
The InChIKey is YIQZXHRLCNLNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.Na.H2O/c1-4(2)3;;/h1-3H3;;1H2/q-1;+1;.
What are the key properties of sodium;2-methylpropane;hydrate?
sodium;2-methylpropane;hydrate has a molecular weight of 98.12 g/mol, XLogP of -2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-methylpropane;hydrate is sourced from PubChem (CID 172863032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).