6-(hydroxymethylimino)-2,7-dimethyloctan-3-one

C11H21NO2 — CID 148622332

IUPAC6-(hydroxymethylimino)-2,7-dimethyloctan-3-one
SMILESCC(C)C(=O)CCC(=NCO)C(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)10(12-7-13)5-6-11(14)9(3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyNGMXQQAQXCZGAD-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.04
Rot. Bonds6

About 6-(hydroxymethylimino)-2,7-dimethyloctan-3-one

6-(hydroxymethylimino)-2,7-dimethyloctan-3-one (PubChem CID 148622332) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 6-(hydroxymethylimino)-2,7-dimethyloctan-3-one.

Molecular Properties

Compound Name6-(hydroxymethylimino)-2,7-dimethyloctan-3-one
PubChem CID148622332
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name6-(hydroxymethylimino)-2,7-dimethyloctan-3-one
SMILESCC(C)C(=O)CCC(=NCO)C(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)10(12-7-13)5-6-11(14)9(3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyNGMXQQAQXCZGAD-UHFFFAOYSA-N
XLogP2.04
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethylimino)-2,7-dimethyloctan-3-one?
The IUPAC name of 6-(hydroxymethylimino)-2,7-dimethyloctan-3-one (CID 148622332) is 6-(hydroxymethylimino)-2,7-dimethyloctan-3-one.
What is the SMILES notation for 6-(hydroxymethylimino)-2,7-dimethyloctan-3-one?
The canonical SMILES for 6-(hydroxymethylimino)-2,7-dimethyloctan-3-one is CC(C)C(=O)CCC(=NCO)C(C)C.
What is the InChIKey of 6-(hydroxymethylimino)-2,7-dimethyloctan-3-one?
The InChIKey is NGMXQQAQXCZGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)10(12-7-13)5-6-11(14)9(3)4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 6-(hydroxymethylimino)-2,7-dimethyloctan-3-one?
6-(hydroxymethylimino)-2,7-dimethyloctan-3-one has a molecular weight of 199.29 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethylimino)-2,7-dimethyloctan-3-one is sourced from PubChem (CID 148622332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).