5-aminooxy-2,2-dimethylhexan-3-one

C8H17NO2 — CID 22479459

IUPAC5-aminooxy-2,2-dimethylhexan-3-one
SMILESCC(CC(=O)C(C)(C)C)ON
InChIInChI=1S/C8H17NO2/c1-6(11-9)5-7(10)8(2,3)4/h6H,5,9H2,1-4H3
InChIKeyKPEDSUOPUGQORP-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.27
Rot. Bonds3

About 5-aminooxy-2,2-dimethylhexan-3-one

5-aminooxy-2,2-dimethylhexan-3-one (PubChem CID 22479459) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-aminooxy-2,2-dimethylhexan-3-one.

Molecular Properties

Compound Name5-aminooxy-2,2-dimethylhexan-3-one
PubChem CID22479459
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name5-aminooxy-2,2-dimethylhexan-3-one
SMILESCC(CC(=O)C(C)(C)C)ON
InChIInChI=1S/C8H17NO2/c1-6(11-9)5-7(10)8(2,3)4/h6H,5,9H2,1-4H3
InChIKeyKPEDSUOPUGQORP-UHFFFAOYSA-N
XLogP1.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-aminooxy-2,2-dimethylhexan-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

Related Compounds

5-iodo-2,2-dimethylhexan-3-one
CID 22934221
methyl (2S)-2-hydroxy-5,5-dimethyl-4-oxohexanoate
CID 155654768
5-hydroxy-2,2,8,8-tetramethylnonane-3,7-dione
CID 90394412
3,6,6-trimethylheptane-2,5-dione
CID 58992313
6,6,6-trifluoro-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one
CID 166927504
6,6-dimethyl-3-(2-methylpropyl)heptane-2,5-dione
CID 167540042
(5S)-5-tert-butyl-2,2,6-trimethyloctan-3-one
CID 159081424
methyl 2-amino-5,5-dimethyl-4-oxohexanoate;hydrochloride
CID 105481491
methyl 2,2,3,6,6-pentamethyl-5-oxoheptanoate
CID 10489549
1,1-diethoxy-4,4-dimethylpentan-3-one
CID 13112448
3,3-dimethyl-1-propan-2-yloxybutan-2-one
CID 43798828
methyl 2-cyano-5,5-dimethyl-4-oxohexanoate
CID 59345805

Frequently Asked Questions

What is the IUPAC name of 5-aminooxy-2,2-dimethylhexan-3-one?
The IUPAC name of 5-aminooxy-2,2-dimethylhexan-3-one (CID 22479459) is 5-aminooxy-2,2-dimethylhexan-3-one.
What is the SMILES notation for 5-aminooxy-2,2-dimethylhexan-3-one?
The canonical SMILES for 5-aminooxy-2,2-dimethylhexan-3-one is CC(CC(=O)C(C)(C)C)ON.
What is the InChIKey of 5-aminooxy-2,2-dimethylhexan-3-one?
The InChIKey is KPEDSUOPUGQORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(11-9)5-7(10)8(2,3)4/h6H,5,9H2,1-4H3.
What are the key properties of 5-aminooxy-2,2-dimethylhexan-3-one?
5-aminooxy-2,2-dimethylhexan-3-one has a molecular weight of 159.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminooxy-2,2-dimethylhexan-3-one is sourced from PubChem (CID 22479459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).