(4E)-4-hydroxyimino-2,3-dimethylpentan-2-ol

C7H15NO2 — CID 13158028

IUPAC(4E)-4-hydroxyimino-2,3-dimethylpentan-2-ol
SMILESC/C(=N\O)C(C)C(C)(C)O
InChIInChI=1S/C7H15NO2/c1-5(6(2)8-10)7(3,4)9/h5,9-10H,1-4H3/b8-6+
InChIKeyQDNQZUXNEDSKMF-SOFGYWHQSA-N
MW145.20 g/mol
LogP1.24
Rot. Bonds2

About (4E)-4-hydroxyimino-2,3-dimethylpentan-2-ol

(4E)-4-hydroxyimino-2,3-dimethylpentan-2-ol (PubChem CID 13158028) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (4E)-4-hydroxyimino-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name(4E)-4-hydroxyimino-2,3-dimethylpentan-2-ol
PubChem CID13158028
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(4E)-4-hydroxyimino-2,3-dimethylpentan-2-ol
SMILESC/C(=N\O)C(C)C(C)(C)O
InChIInChI=1S/C7H15NO2/c1-5(6(2)8-10)7(3,4)9/h5,9-10H,1-4H3/b8-6+
InChIKeyQDNQZUXNEDSKMF-SOFGYWHQSA-N
XLogP1.24
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.24
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 (4E)-4-hydroxyimino-2,3-dimethylpentan-2-ol?
The IUPAC name of (4E)-4-hydroxyimino-2,3-dimethylpentan-2-ol (CID 13158028) is (4E)-4-hydroxyimino-2,3-dimethylpentan-2-ol.
What is the SMILES notation for (4E)-4-hydroxyimino-2,3-dimethylpentan-2-ol?
The canonical SMILES for (4E)-4-hydroxyimino-2,3-dimethylpentan-2-ol is C/C(=N\O)C(C)C(C)(C)O.
What is the InChIKey of (4E)-4-hydroxyimino-2,3-dimethylpentan-2-ol?
The InChIKey is QDNQZUXNEDSKMF-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(6(2)8-10)7(3,4)9/h5,9-10H,1-4H3/b8-6+.
What are the key properties of (4E)-4-hydroxyimino-2,3-dimethylpentan-2-ol?
(4E)-4-hydroxyimino-2,3-dimethylpentan-2-ol has a molecular weight of 145.20 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-hydroxyimino-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 13158028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).