(3-hydroxy-2,3-dimethylbutan-2-yl) dihydrogen phosphate

C6H15O5P — CID 121482173

IUPAC(3-hydroxy-2,3-dimethylbutan-2-yl) dihydrogen phosphate
SMILESCC(C)(O)C(C)(C)OP(=O)(O)O
InChIInChI=1S/C6H15O5P/c1-5(2,7)6(3,4)11-12(8,9)10/h7H,1-4H3,(H2,8,9,10)
InChIKeyNEAADDLKUIKEBS-UHFFFAOYSA-N
MW198.15 g/mol
LogP0.65
Rot. Bonds3

About (3-hydroxy-2,3-dimethylbutan-2-yl) dihydrogen phosphate

(3-hydroxy-2,3-dimethylbutan-2-yl) dihydrogen phosphate (PubChem CID 121482173) has the molecular formula C6H15O5P and a molecular weight of 198.15 g/mol. Its IUPAC name is (3-hydroxy-2,3-dimethylbutan-2-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(3-hydroxy-2,3-dimethylbutan-2-yl) dihydrogen phosphate
PubChem CID121482173
Molecular FormulaC6H15O5P
Molecular Weight198.15 g/mol
Exact Mass198.07
IUPAC Name(3-hydroxy-2,3-dimethylbutan-2-yl) dihydrogen phosphate
SMILESCC(C)(O)C(C)(C)OP(=O)(O)O
InChIInChI=1S/C6H15O5P/c1-5(2,7)6(3,4)11-12(8,9)10/h7H,1-4H3,(H2,8,9,10)
InChIKeyNEAADDLKUIKEBS-UHFFFAOYSA-N
XLogP0.65
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,3-dimethylbutan-2-yl) dihydrogen phosphate?
The IUPAC name of (3-hydroxy-2,3-dimethylbutan-2-yl) dihydrogen phosphate (CID 121482173) is (3-hydroxy-2,3-dimethylbutan-2-yl) dihydrogen phosphate.
What is the SMILES notation for (3-hydroxy-2,3-dimethylbutan-2-yl) dihydrogen phosphate?
The canonical SMILES for (3-hydroxy-2,3-dimethylbutan-2-yl) dihydrogen phosphate is CC(C)(O)C(C)(C)OP(=O)(O)O.
What is the InChIKey of (3-hydroxy-2,3-dimethylbutan-2-yl) dihydrogen phosphate?
The InChIKey is NEAADDLKUIKEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O5P/c1-5(2,7)6(3,4)11-12(8,9)10/h7H,1-4H3,(H2,8,9,10).
What are the key properties of (3-hydroxy-2,3-dimethylbutan-2-yl) dihydrogen phosphate?
(3-hydroxy-2,3-dimethylbutan-2-yl) dihydrogen phosphate has a molecular weight of 198.15 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,3-dimethylbutan-2-yl) dihydrogen phosphate is sourced from PubChem (CID 121482173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).