(5E)-5-hydroxyimino-2,2,4,4,7,7-hexamethyloctanoic acid

C14H27NO3 — CID 166883414

IUPAC(5E)-5-hydroxyimino-2,2,4,4,7,7-hexamethyloctanoic acid
SMILESCC(C)(C)C/C(=N\O)C(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C14H27NO3/c1-12(2,3)8-10(15-18)13(4,5)9-14(6,7)11(16)17/h18H,8-9H2,1-7H3,(H,16,17)/b15-10+
InChIKeyFGDSMVNIOFMYEM-XNTDXEJSSA-N
MW257.37 g/mol
LogP3.78
Rot. Bonds5

About (5E)-5-hydroxyimino-2,2,4,4,7,7-hexamethyloctanoic acid

(5E)-5-hydroxyimino-2,2,4,4,7,7-hexamethyloctanoic acid (PubChem CID 166883414) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is (5E)-5-hydroxyimino-2,2,4,4,7,7-hexamethyloctanoic acid.

Molecular Properties

Compound Name(5E)-5-hydroxyimino-2,2,4,4,7,7-hexamethyloctanoic acid
PubChem CID166883414
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(5E)-5-hydroxyimino-2,2,4,4,7,7-hexamethyloctanoic acid
SMILESCC(C)(C)C/C(=N\O)C(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C14H27NO3/c1-12(2,3)8-10(15-18)13(4,5)9-14(6,7)11(16)17/h18H,8-9H2,1-7H3,(H,16,17)/b15-10+
InChIKeyFGDSMVNIOFMYEM-XNTDXEJSSA-N
XLogP3.78
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.78
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 (5E)-5-hydroxyimino-2,2,4,4,7,7-hexamethyloctanoic acid?
The IUPAC name of (5E)-5-hydroxyimino-2,2,4,4,7,7-hexamethyloctanoic acid (CID 166883414) is (5E)-5-hydroxyimino-2,2,4,4,7,7-hexamethyloctanoic acid.
What is the SMILES notation for (5E)-5-hydroxyimino-2,2,4,4,7,7-hexamethyloctanoic acid?
The canonical SMILES for (5E)-5-hydroxyimino-2,2,4,4,7,7-hexamethyloctanoic acid is CC(C)(C)C/C(=N\O)C(C)(C)CC(C)(C)C(=O)O.
What is the InChIKey of (5E)-5-hydroxyimino-2,2,4,4,7,7-hexamethyloctanoic acid?
The InChIKey is FGDSMVNIOFMYEM-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H27NO3/c1-12(2,3)8-10(15-18)13(4,5)9-14(6,7)11(16)17/h18H,8-9H2,1-7H3,(H,16,17)/b15-10+.
What are the key properties of (5E)-5-hydroxyimino-2,2,4,4,7,7-hexamethyloctanoic acid?
(5E)-5-hydroxyimino-2,2,4,4,7,7-hexamethyloctanoic acid has a molecular weight of 257.37 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-hydroxyimino-2,2,4,4,7,7-hexamethyloctanoic acid is sourced from PubChem (CID 166883414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).