(13E)-13-hydroxyimino-oxacyclohexadecan-2-one

C15H27NO3 — CID 5358271

IUPAC(13E)-13-hydroxyimino-oxacyclohexadecan-2-one
SMILESO=C1CCCCCCCCCC/C(=N\O)CCCO1
InChIInChI=1S/C15H27NO3/c17-15-12-8-6-4-2-1-3-5-7-10-14(16-18)11-9-13-19-15/h18H,1-13H2/b16-14+
InChIKeyALVVVGFCZNOOFD-JQIJEIRASA-N
MW269.38 g/mol
LogP4.05
Rot. Bonds

About (13E)-13-hydroxyimino-oxacyclohexadecan-2-one

(13E)-13-hydroxyimino-oxacyclohexadecan-2-one (PubChem CID 5358271) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (13E)-13-hydroxyimino-oxacyclohexadecan-2-one.

Molecular Properties

Compound Name(13E)-13-hydroxyimino-oxacyclohexadecan-2-one
PubChem CID5358271
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(13E)-13-hydroxyimino-oxacyclohexadecan-2-one
SMILESO=C1CCCCCCCCCC/C(=N\O)CCCO1
InChIInChI=1S/C15H27NO3/c17-15-12-8-6-4-2-1-3-5-7-10-14(16-18)11-9-13-19-15/h18H,1-13H2/b16-14+
InChIKeyALVVVGFCZNOOFD-JQIJEIRASA-N
XLogP4.05
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (13E)-13-hydroxyimino-oxacyclohexadecan-2-one?
The IUPAC name of (13E)-13-hydroxyimino-oxacyclohexadecan-2-one (CID 5358271) is (13E)-13-hydroxyimino-oxacyclohexadecan-2-one.
What is the SMILES notation for (13E)-13-hydroxyimino-oxacyclohexadecan-2-one?
The canonical SMILES for (13E)-13-hydroxyimino-oxacyclohexadecan-2-one is O=C1CCCCCCCCCC/C(=N\O)CCCO1.
What is the InChIKey of (13E)-13-hydroxyimino-oxacyclohexadecan-2-one?
The InChIKey is ALVVVGFCZNOOFD-JQIJEIRASA-N. The full InChI is InChI=1S/C15H27NO3/c17-15-12-8-6-4-2-1-3-5-7-10-14(16-18)11-9-13-19-15/h18H,1-13H2/b16-14+.
What are the key properties of (13E)-13-hydroxyimino-oxacyclohexadecan-2-one?
(13E)-13-hydroxyimino-oxacyclohexadecan-2-one has a molecular weight of 269.38 g/mol, XLogP of 4.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (13E)-13-hydroxyimino-oxacyclohexadecan-2-one is sourced from PubChem (CID 5358271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).