(5E)-5-hydroxyimino-2,4,4,6,8,8-hexamethylnonanoic acid

C15H29NO3 — CID 138751917

IUPAC(5E)-5-hydroxyimino-2,4,4,6,8,8-hexamethylnonanoic acid
SMILESCC(CC(C)(C)/C(=N/O)C(C)CC(C)(C)C)C(=O)O
InChIInChI=1S/C15H29NO3/c1-10(8-14(3,4)5)12(16-19)15(6,7)9-11(2)13(17)18/h10-11,19H,8-9H2,1-7H3,(H,17,18)/b16-12+
InChIKeyGJPUITBCEPFKHM-FOWTUZBSSA-N
MW271.40 g/mol
LogP4.03
Rot. Bonds6

About (5E)-5-hydroxyimino-2,4,4,6,8,8-hexamethylnonanoic acid

(5E)-5-hydroxyimino-2,4,4,6,8,8-hexamethylnonanoic acid (PubChem CID 138751917) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is (5E)-5-hydroxyimino-2,4,4,6,8,8-hexamethylnonanoic acid.

Molecular Properties

Compound Name(5E)-5-hydroxyimino-2,4,4,6,8,8-hexamethylnonanoic acid
PubChem CID138751917
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name(5E)-5-hydroxyimino-2,4,4,6,8,8-hexamethylnonanoic acid
SMILESCC(CC(C)(C)/C(=N/O)C(C)CC(C)(C)C)C(=O)O
InChIInChI=1S/C15H29NO3/c1-10(8-14(3,4)5)12(16-19)15(6,7)9-11(2)13(17)18/h10-11,19H,8-9H2,1-7H3,(H,17,18)/b16-12+
InChIKeyGJPUITBCEPFKHM-FOWTUZBSSA-N
XLogP4.03
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.03
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-2,4,4,6,8,8-hexamethylnonanoic acid?
The IUPAC name of (5E)-5-hydroxyimino-2,4,4,6,8,8-hexamethylnonanoic acid (CID 138751917) is (5E)-5-hydroxyimino-2,4,4,6,8,8-hexamethylnonanoic acid.
What is the SMILES notation for (5E)-5-hydroxyimino-2,4,4,6,8,8-hexamethylnonanoic acid?
The canonical SMILES for (5E)-5-hydroxyimino-2,4,4,6,8,8-hexamethylnonanoic acid is CC(CC(C)(C)/C(=N/O)C(C)CC(C)(C)C)C(=O)O.
What is the InChIKey of (5E)-5-hydroxyimino-2,4,4,6,8,8-hexamethylnonanoic acid?
The InChIKey is GJPUITBCEPFKHM-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H29NO3/c1-10(8-14(3,4)5)12(16-19)15(6,7)9-11(2)13(17)18/h10-11,19H,8-9H2,1-7H3,(H,17,18)/b16-12+.
What are the key properties of (5E)-5-hydroxyimino-2,4,4,6,8,8-hexamethylnonanoic acid?
(5E)-5-hydroxyimino-2,4,4,6,8,8-hexamethylnonanoic acid has a molecular weight of 271.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-hydroxyimino-2,4,4,6,8,8-hexamethylnonanoic acid is sourced from PubChem (CID 138751917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).