4-hydroxyimino-2-methylpentan-2-ol

C6H13NO2 — CID 85439537

IUPAC4-hydroxyimino-2-methylpentan-2-ol
SMILESCC(CC(C)(C)O)=NO
InChIInChI=1S/C6H13NO2/c1-5(7-9)4-6(2,3)8/h8-9H,4H2,1-3H3
InChIKeyRIGUXCDLUKALKD-UHFFFAOYSA-N
MW131.17 g/mol
LogP1.00
Rot. Bonds2

About 4-hydroxyimino-2-methylpentan-2-ol

4-hydroxyimino-2-methylpentan-2-ol (PubChem CID 85439537) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 4-hydroxyimino-2-methylpentan-2-ol.

Molecular Properties

Compound Name4-hydroxyimino-2-methylpentan-2-ol
PubChem CID85439537
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name4-hydroxyimino-2-methylpentan-2-ol
SMILESCC(CC(C)(C)O)=NO
InChIInChI=1S/C6H13NO2/c1-5(7-9)4-6(2,3)8/h8-9H,4H2,1-3H3
InChIKeyRIGUXCDLUKALKD-UHFFFAOYSA-N
XLogP1.00
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxyimino-2-methylpentan-2-ol?
The IUPAC name of 4-hydroxyimino-2-methylpentan-2-ol (CID 85439537) is 4-hydroxyimino-2-methylpentan-2-ol.
What is the SMILES notation for 4-hydroxyimino-2-methylpentan-2-ol?
The canonical SMILES for 4-hydroxyimino-2-methylpentan-2-ol is CC(CC(C)(C)O)=NO.
What is the InChIKey of 4-hydroxyimino-2-methylpentan-2-ol?
The InChIKey is RIGUXCDLUKALKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(7-9)4-6(2,3)8/h8-9H,4H2,1-3H3.
What are the key properties of 4-hydroxyimino-2-methylpentan-2-ol?
4-hydroxyimino-2-methylpentan-2-ol has a molecular weight of 131.17 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyimino-2-methylpentan-2-ol is sourced from PubChem (CID 85439537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).