sodium 2-methylpropan-1-olate

C4H9NaO — CID 23673704

IUPACsodium 2-methylpropan-1-olate
SMILESCC(C)C[O-].[Na+]
InChIInChI=1S/C4H9O.Na/c1-4(2)3-5;/h4H,3H2,1-2H3;/q-1;+1
InChIKeyJYCDILBEUUCCQD-UHFFFAOYSA-N
MW96.11 g/mol
LogP-2.99
Rot. Bonds1

About sodium 2-methylpropan-1-olate

sodium 2-methylpropan-1-olate (PubChem CID 23673704) has the molecular formula C4H9NaO and a molecular weight of 96.11 g/mol. Its IUPAC name is sodium 2-methylpropan-1-olate.

Molecular Properties

Compound Namesodium 2-methylpropan-1-olate
PubChem CID23673704
Molecular FormulaC4H9NaO
Molecular Weight96.11 g/mol
Exact Mass96.06
IUPAC Namesodium 2-methylpropan-1-olate
SMILESCC(C)C[O-].[Na+]
InChIInChI=1S/C4H9O.Na/c1-4(2)3-5;/h4H,3H2,1-2H3;/q-1;+1
InChIKeyJYCDILBEUUCCQD-UHFFFAOYSA-N
XLogP-2.99
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.11
LogP ≤ 5-2.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium 2-methylpropan-1-olate?
The IUPAC name of sodium 2-methylpropan-1-olate (CID 23673704) is sodium 2-methylpropan-1-olate.
What is the SMILES notation for sodium 2-methylpropan-1-olate?
The canonical SMILES for sodium 2-methylpropan-1-olate is CC(C)C[O-].[Na+].
What is the InChIKey of sodium 2-methylpropan-1-olate?
The InChIKey is JYCDILBEUUCCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Na/c1-4(2)3-5;/h4H,3H2,1-2H3;/q-1;+1.
What are the key properties of sodium 2-methylpropan-1-olate?
sodium 2-methylpropan-1-olate has a molecular weight of 96.11 g/mol, XLogP of -2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methylpropan-1-olate is sourced from PubChem (CID 23673704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).