sodium tert-butanolate

C4H9NaO- — CID 131726539

IUPAC—
SMILESCC(C)(C)[O-].[Na]
InChIInChI=1S/C4H9O.Na/c1-4(2,3)5;/h1-3H3;/q-1;
InChIKeyFZYZAKRJECKGHN-UHFFFAOYSA-N
MW96.10 g/mol
LogP-0.24
Rot. Bonds

About sodium tert-butanolate

sodium tert-butanolate (PubChem CID 131726539) has the molecular formula C4H9NaO- and a molecular weight of 96.10 g/mol.

Molecular Properties

Compound Namesodium tert-butanolate
PubChem CID131726539
Molecular FormulaC4H9NaO-
Molecular Weight96.10 g/mol
Exact Mass96.06
IUPAC Name—
SMILESCC(C)(C)[O-].[Na]
InChIInChI=1S/C4H9O.Na/c1-4(2,3)5;/h1-3H3;/q-1;
InChIKeyFZYZAKRJECKGHN-UHFFFAOYSA-N
XLogP-0.24
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 ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

triazanium;tris(2-methylpropan-2-olate)
CID 139799993
cerium;hexakis(2-methylpropan-2-olate)
CID 160781573
chromium(4+);tetrakis(2-methylpropan-2-olate)
CID 131715162
tris(2-methylpropan-2-olate);titanium(4+);hydroxide
CID 101188684
potassium;gold;2-methylpropan-2-olate
CID 174888257
sodium;benzene;2-methylpropan-2-olate
CID 174911995
ditert-butylalumanylium;2-methylpropan-2-olate
CID 18400427
CID 136915932
CID 136915932
aluminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate)
CID 101066233
potassium;2-methylpropan-2-olate;methylsulfinylmethane
CID 87549036
magnesium;2-methylpropan-2-olate;prop-1-ene
CID 11400811
bis(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane)
CID 174928811

Frequently Asked Questions

What is the IUPAC name of sodium tert-butanolate?
The IUPAC name of sodium tert-butanolate (CID 131726539) is not available.
What is the SMILES notation for sodium tert-butanolate?
The canonical SMILES for sodium tert-butanolate is CC(C)(C)[O-].[Na].
What is the InChIKey of sodium tert-butanolate?
The InChIKey is FZYZAKRJECKGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Na/c1-4(2,3)5;/h1-3H3;/q-1;.
What are the key properties of sodium tert-butanolate?
sodium tert-butanolate has a molecular weight of 96.10 g/mol, XLogP of -0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium tert-butanolate is sourced from PubChem (CID 131726539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).