4-methoxyimino-2-methylpentan-2-ol

C7H15NO2 — CID 76609487

IUPAC4-methoxyimino-2-methylpentan-2-ol
SMILESCON=C(C)CC(C)(C)O
InChIInChI=1S/C7H15NO2/c1-6(8-10-4)5-7(2,3)9/h9H,5H2,1-4H3
InChIKeyNQIOJBLEQHFGOA-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.17
Rot. Bonds3

About 4-methoxyimino-2-methylpentan-2-ol

4-methoxyimino-2-methylpentan-2-ol (PubChem CID 76609487) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-methoxyimino-2-methylpentan-2-ol.

Molecular Properties

Compound Name4-methoxyimino-2-methylpentan-2-ol
PubChem CID76609487
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-methoxyimino-2-methylpentan-2-ol
SMILESCON=C(C)CC(C)(C)O
InChIInChI=1S/C7H15NO2/c1-6(8-10-4)5-7(2,3)9/h9H,5H2,1-4H3
InChIKeyNQIOJBLEQHFGOA-UHFFFAOYSA-N
XLogP1.17
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-methoxyimino-2-methylpentan-2-ol?
The IUPAC name of 4-methoxyimino-2-methylpentan-2-ol (CID 76609487) is 4-methoxyimino-2-methylpentan-2-ol.
What is the SMILES notation for 4-methoxyimino-2-methylpentan-2-ol?
The canonical SMILES for 4-methoxyimino-2-methylpentan-2-ol is CON=C(C)CC(C)(C)O.
What is the InChIKey of 4-methoxyimino-2-methylpentan-2-ol?
The InChIKey is NQIOJBLEQHFGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(8-10-4)5-7(2,3)9/h9H,5H2,1-4H3.
What are the key properties of 4-methoxyimino-2-methylpentan-2-ol?
4-methoxyimino-2-methylpentan-2-ol has a molecular weight of 145.20 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyimino-2-methylpentan-2-ol is sourced from PubChem (CID 76609487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).