Sodium tert-butoxide

C4H10NaO — CID 45051916

IUPAC—
SMILESCC(C)(C)O.[Na]
InChIInChI=1S/C4H10O.Na/c1-4(2,3)5;/h5H,1-3H3;
InChIKeyGSVQWRYRPRJOIM-UHFFFAOYSA-N
MW97.11 g/mol
LogP0.40
Rot. Bonds

About Sodium tert-butoxide

Sodium tert-butoxide (PubChem CID 45051916) has the molecular formula C4H10NaO and a molecular weight of 97.11 g/mol.

Molecular Properties

Compound NameSodium tert-butoxide
PubChem CID45051916
Molecular FormulaC4H10NaO
Molecular Weight97.11 g/mol
Exact Mass97.06
IUPAC Name—
SMILESCC(C)(C)O.[Na]
InChIInChI=1S/C4H10O.Na/c1-4(2,3)5;/h5H,1-3H3;
InChIKeyGSVQWRYRPRJOIM-UHFFFAOYSA-N
XLogP0.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.11
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of Sodium tert-butoxide?
The IUPAC name of Sodium tert-butoxide (CID 45051916) is not available.
What is the SMILES notation for Sodium tert-butoxide?
The canonical SMILES for Sodium tert-butoxide is CC(C)(C)O.[Na].
What is the InChIKey of Sodium tert-butoxide?
The InChIKey is GSVQWRYRPRJOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.Na/c1-4(2,3)5;/h5H,1-3H3;.
What are the key properties of Sodium tert-butoxide?
Sodium tert-butoxide has a molecular weight of 97.11 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium tert-butoxide is sourced from PubChem (CID 45051916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).