(4R)-1-diazo-4-[(2-methylpropan-2-yl)oxy]pentan-2-one

C9H16N2O2 — CID 90987376

IUPAC(4R)-1-diazo-4-[(2-methylpropan-2-yl)oxy]pentan-2-one
SMILESC[C@H](CC(=O)C=[N+]=[N-])OC(C)(C)C
InChIInChI=1S/C9H16N2O2/c1-7(13-9(2,3)4)5-8(12)6-11-10/h6-7H,5H2,1-4H3/t7-/m1/s1
InChIKeyCSGHVEBUDCXTRI-SSDOTTSWSA-N
MW184.24 g/mol
LogP1.45
Rot. Bonds4

About (4R)-1-diazo-4-[(2-methylpropan-2-yl)oxy]pentan-2-one

(4R)-1-diazo-4-[(2-methylpropan-2-yl)oxy]pentan-2-one (PubChem CID 90987376) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (4R)-1-diazo-4-[(2-methylpropan-2-yl)oxy]pentan-2-one.

Molecular Properties

Compound Name(4R)-1-diazo-4-[(2-methylpropan-2-yl)oxy]pentan-2-one
PubChem CID90987376
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(4R)-1-diazo-4-[(2-methylpropan-2-yl)oxy]pentan-2-one
SMILESC[C@H](CC(=O)C=[N+]=[N-])OC(C)(C)C
InChIInChI=1S/C9H16N2O2/c1-7(13-9(2,3)4)5-8(12)6-11-10/h6-7H,5H2,1-4H3/t7-/m1/s1
InChIKeyCSGHVEBUDCXTRI-SSDOTTSWSA-N
XLogP1.45
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-diazo-4-[(2-methylpropan-2-yl)oxy]pentan-2-one?
The IUPAC name of (4R)-1-diazo-4-[(2-methylpropan-2-yl)oxy]pentan-2-one (CID 90987376) is (4R)-1-diazo-4-[(2-methylpropan-2-yl)oxy]pentan-2-one.
What is the SMILES notation for (4R)-1-diazo-4-[(2-methylpropan-2-yl)oxy]pentan-2-one?
The canonical SMILES for (4R)-1-diazo-4-[(2-methylpropan-2-yl)oxy]pentan-2-one is C[C@H](CC(=O)C=[N+]=[N-])OC(C)(C)C.
What is the InChIKey of (4R)-1-diazo-4-[(2-methylpropan-2-yl)oxy]pentan-2-one?
The InChIKey is CSGHVEBUDCXTRI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(13-9(2,3)4)5-8(12)6-11-10/h6-7H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of (4R)-1-diazo-4-[(2-methylpropan-2-yl)oxy]pentan-2-one?
(4R)-1-diazo-4-[(2-methylpropan-2-yl)oxy]pentan-2-one has a molecular weight of 184.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-diazo-4-[(2-methylpropan-2-yl)oxy]pentan-2-one is sourced from PubChem (CID 90987376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).