(3-hydroxy-2,3-dimethylbutan-2-yl)oxidanium

C6H15O2+ — CID 138977079

IUPAC(3-hydroxy-2,3-dimethylbutan-2-yl)oxidanium
SMILESCC(C)(O)C(C)(C)[OH2+]
InChIInChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3/p+1
InChIKeyIVDFJHOHABJVEH-UHFFFAOYSA-O
MW119.18 g/mol
LogP0.26
Rot. Bonds1

About (3-hydroxy-2,3-dimethylbutan-2-yl)oxidanium

(3-hydroxy-2,3-dimethylbutan-2-yl)oxidanium (PubChem CID 138977079) has the molecular formula C6H15O2+ and a molecular weight of 119.18 g/mol. Its IUPAC name is (3-hydroxy-2,3-dimethylbutan-2-yl)oxidanium.

Molecular Properties

Compound Name(3-hydroxy-2,3-dimethylbutan-2-yl)oxidanium
PubChem CID138977079
Molecular FormulaC6H15O2+
Molecular Weight119.18 g/mol
Exact Mass119.11
IUPAC Name(3-hydroxy-2,3-dimethylbutan-2-yl)oxidanium
SMILESCC(C)(O)C(C)(C)[OH2+]
InChIInChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3/p+1
InChIKeyIVDFJHOHABJVEH-UHFFFAOYSA-O
XLogP0.26
TPSA43.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.18
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,3-dimethylbutan-2-yl)oxidanium?
The IUPAC name of (3-hydroxy-2,3-dimethylbutan-2-yl)oxidanium (CID 138977079) is (3-hydroxy-2,3-dimethylbutan-2-yl)oxidanium.
What is the SMILES notation for (3-hydroxy-2,3-dimethylbutan-2-yl)oxidanium?
The canonical SMILES for (3-hydroxy-2,3-dimethylbutan-2-yl)oxidanium is CC(C)(O)C(C)(C)[OH2+].
What is the InChIKey of (3-hydroxy-2,3-dimethylbutan-2-yl)oxidanium?
The InChIKey is IVDFJHOHABJVEH-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3/p+1.
What are the key properties of (3-hydroxy-2,3-dimethylbutan-2-yl)oxidanium?
(3-hydroxy-2,3-dimethylbutan-2-yl)oxidanium has a molecular weight of 119.18 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,3-dimethylbutan-2-yl)oxidanium is sourced from PubChem (CID 138977079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).