2-Butanol, 2-methyl-, sodium salt (1:1)

C5H12NaO — CID 45051788

IUPAC—
SMILESCCC(C)(C)O.[Na]
InChIInChI=1S/C5H12O.Na/c1-4-5(2,3)6;/h6H,4H2,1-3H3;
InChIKeyGNFRAWUJXCRPHZ-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.79
Rot. Bonds1

About 2-Butanol, 2-methyl-, sodium salt (1:1)

2-Butanol, 2-methyl-, sodium salt (1:1) (PubChem CID 45051788) has the molecular formula C5H12NaO and a molecular weight of 111.14 g/mol.

Molecular Properties

Compound Name2-Butanol, 2-methyl-, sodium salt (1:1)
PubChem CID45051788
Molecular FormulaC5H12NaO
Molecular Weight111.14 g/mol
Exact Mass111.08
IUPAC Name—
SMILESCCC(C)(C)O.[Na]
InChIInChI=1S/C5H12O.Na/c1-4-5(2,3)6;/h6H,4H2,1-3H3;
InChIKeyGNFRAWUJXCRPHZ-UHFFFAOYSA-N
XLogP0.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-Butanol, 2-methyl-, sodium salt (1:1)?
The IUPAC name of 2-Butanol, 2-methyl-, sodium salt (1:1) (CID 45051788) is not available.
What is the SMILES notation for 2-Butanol, 2-methyl-, sodium salt (1:1)?
The canonical SMILES for 2-Butanol, 2-methyl-, sodium salt (1:1) is CCC(C)(C)O.[Na].
What is the InChIKey of 2-Butanol, 2-methyl-, sodium salt (1:1)?
The InChIKey is GNFRAWUJXCRPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.Na/c1-4-5(2,3)6;/h6H,4H2,1-3H3;.
What are the key properties of 2-Butanol, 2-methyl-, sodium salt (1:1)?
2-Butanol, 2-methyl-, sodium salt (1:1) has a molecular weight of 111.14 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Butanol, 2-methyl-, sodium salt (1:1) is sourced from PubChem (CID 45051788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).