(4E)-4-hydroxyimino-5,5-dimethylhexanoic acid

C8H15NO3 — CID 145350573

IUPAC(4E)-4-hydroxyimino-5,5-dimethylhexanoic acid
SMILESCC(C)(C)/C(CCC(=O)O)=N/O
InChIInChI=1S/C8H15NO3/c1-8(2,3)6(9-12)4-5-7(10)11/h12H,4-5H2,1-3H3,(H,10,11)/b9-6+
InChIKeyQHBFIGRPUVNBNK-RMKNXTFCSA-N
MW173.21 g/mol
LogP1.73
Rot. Bonds3

About (4E)-4-hydroxyimino-5,5-dimethylhexanoic acid

(4E)-4-hydroxyimino-5,5-dimethylhexanoic acid (PubChem CID 145350573) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (4E)-4-hydroxyimino-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name(4E)-4-hydroxyimino-5,5-dimethylhexanoic acid
PubChem CID145350573
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(4E)-4-hydroxyimino-5,5-dimethylhexanoic acid
SMILESCC(C)(C)/C(CCC(=O)O)=N/O
InChIInChI=1S/C8H15NO3/c1-8(2,3)6(9-12)4-5-7(10)11/h12H,4-5H2,1-3H3,(H,10,11)/b9-6+
InChIKeyQHBFIGRPUVNBNK-RMKNXTFCSA-N
XLogP1.73
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.73
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-5,5-dimethylhexanoic acid?
The IUPAC name of (4E)-4-hydroxyimino-5,5-dimethylhexanoic acid (CID 145350573) is (4E)-4-hydroxyimino-5,5-dimethylhexanoic acid.
What is the SMILES notation for (4E)-4-hydroxyimino-5,5-dimethylhexanoic acid?
The canonical SMILES for (4E)-4-hydroxyimino-5,5-dimethylhexanoic acid is CC(C)(C)/C(CCC(=O)O)=N/O.
What is the InChIKey of (4E)-4-hydroxyimino-5,5-dimethylhexanoic acid?
The InChIKey is QHBFIGRPUVNBNK-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2,3)6(9-12)4-5-7(10)11/h12H,4-5H2,1-3H3,(H,10,11)/b9-6+.
What are the key properties of (4E)-4-hydroxyimino-5,5-dimethylhexanoic acid?
(4E)-4-hydroxyimino-5,5-dimethylhexanoic acid has a molecular weight of 173.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-hydroxyimino-5,5-dimethylhexanoic acid is sourced from PubChem (CID 145350573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).