sodium 2-methylpropan-2-olate

C4H9NaO — CID 23676156

IUPACsodium 2-methylpropan-2-olate
SMILESCC(C)(C)[O-].[Na+]
InChIInChI=1S/C4H9O.Na/c1-4(2,3)5;/h1-3H3;/q-1;+1
InChIKeyMFRIHAYPQRLWNB-UHFFFAOYSA-N
MW96.10 g/mol
LogP-2.85
Rot. Bonds

About sodium 2-methylpropan-2-olate

sodium 2-methylpropan-2-olate (PubChem CID 23676156) has the molecular formula C4H9NaO and a molecular weight of 96.10 g/mol. Its IUPAC name is sodium 2-methylpropan-2-olate.

Molecular Properties

Compound Namesodium 2-methylpropan-2-olate
PubChem CID23676156
Molecular FormulaC4H9NaO
Molecular Weight96.10 g/mol
Exact Mass96.06
IUPAC Namesodium 2-methylpropan-2-olate
SMILESCC(C)(C)[O-].[Na+]
InChIInChI=1S/C4H9O.Na/c1-4(2,3)5;/h1-3H3;/q-1;+1
InChIKeyMFRIHAYPQRLWNB-UHFFFAOYSA-N
XLogP-2.85
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.10
LogP ≤ 5-2.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium 2-methylpropan-2-olate?
The IUPAC name of sodium 2-methylpropan-2-olate (CID 23676156) is sodium 2-methylpropan-2-olate.
What is the SMILES notation for sodium 2-methylpropan-2-olate?
The canonical SMILES for sodium 2-methylpropan-2-olate is CC(C)(C)[O-].[Na+].
What is the InChIKey of sodium 2-methylpropan-2-olate?
The InChIKey is MFRIHAYPQRLWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Na/c1-4(2,3)5;/h1-3H3;/q-1;+1.
What are the key properties of sodium 2-methylpropan-2-olate?
sodium 2-methylpropan-2-olate has a molecular weight of 96.10 g/mol, XLogP of -2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methylpropan-2-olate is sourced from PubChem (CID 23676156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).