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

C11H21NO2 — CID 118332963

IUPAC(6Z)-6-(hydroxymethylimino)-2,7-dimethyloctan-3-one
SMILESCC(C)C(=O)CC/C(=N/CO)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/b12-10-
InChIKeyNGMXQQAQXCZGAD-BENRWUELSA-N
MW199.29 g/mol
LogP2.04
Rot. Bonds6

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

(6Z)-6-(hydroxymethylimino)-2,7-dimethyloctan-3-one (PubChem CID 118332963) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (6Z)-6-(hydroxymethylimino)-2,7-dimethyloctan-3-one.

Molecular Properties

Compound Name(6Z)-6-(hydroxymethylimino)-2,7-dimethyloctan-3-one
PubChem CID118332963
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(6Z)-6-(hydroxymethylimino)-2,7-dimethyloctan-3-one
SMILESCC(C)C(=O)CC/C(=N/CO)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/b12-10-
InChIKeyNGMXQQAQXCZGAD-BENRWUELSA-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'}

Analyze (6Z)-6-(hydroxymethylimino)-2,7-dimethyloctan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(hydroxymethylimino)-2,7-dimethyloctan-3-one?
The IUPAC name of (6Z)-6-(hydroxymethylimino)-2,7-dimethyloctan-3-one (CID 118332963) is (6Z)-6-(hydroxymethylimino)-2,7-dimethyloctan-3-one.
What is the SMILES notation for (6Z)-6-(hydroxymethylimino)-2,7-dimethyloctan-3-one?
The canonical SMILES for (6Z)-6-(hydroxymethylimino)-2,7-dimethyloctan-3-one is CC(C)C(=O)CC/C(=N/CO)C(C)C.
What is the InChIKey of (6Z)-6-(hydroxymethylimino)-2,7-dimethyloctan-3-one?
The InChIKey is NGMXQQAQXCZGAD-BENRWUELSA-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/b12-10-.
What are the key properties of (6Z)-6-(hydroxymethylimino)-2,7-dimethyloctan-3-one?
(6Z)-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 (6Z)-6-(hydroxymethylimino)-2,7-dimethyloctan-3-one is sourced from PubChem (CID 118332963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).