2-(tert-butyldiazenyl)pentan-2-ol

C9H20N2O — CID 21412753

IUPAC2-(tert-butyldiazenyl)pentan-2-ol
SMILESCCCC(C)(O)/N=N/C(C)(C)C
InChIInChI=1S/C9H20N2O/c1-6-7-9(5,12)11-10-8(2,3)4/h12H,6-7H2,1-5H3/b11-10+
InChIKeyYLBZDQVYISSBIB-ZHACJKMWSA-N
MW172.27 g/mol
LogP2.75
Rot. Bonds3

About 2-(tert-butyldiazenyl)pentan-2-ol

2-(tert-butyldiazenyl)pentan-2-ol (PubChem CID 21412753) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(tert-butyldiazenyl)pentan-2-ol.

Molecular Properties

Compound Name2-(tert-butyldiazenyl)pentan-2-ol
PubChem CID21412753
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-(tert-butyldiazenyl)pentan-2-ol
SMILESCCCC(C)(O)/N=N/C(C)(C)C
InChIInChI=1S/C9H20N2O/c1-6-7-9(5,12)11-10-8(2,3)4/h12H,6-7H2,1-5H3/b11-10+
InChIKeyYLBZDQVYISSBIB-ZHACJKMWSA-N
XLogP2.75
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(tert-butyldiazenyl)heptan-2-ol;heptan-2-one
CID 88847025
ditert-butyldiazene;dihydrochloride
CID 172805656
tert-butyl(2-fluorohexan-2-yl)diazene
CID 12070537
butane;propane-2,2-diol
CID 142587058
tert-butyl(2-hydroperoxypropan-2-yl)diazene
CID 13429215
butane-1,1,1-triol;hydrochloride
CID 140976874
1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol
CID 150244186
N',2,2-trimethylpentanimidamide
CID 144786120
sodium;hydride;3-methylhexan-3-ol
CID 175384887
(2R)-1-amino-2-methylpentan-2-ol
CID 51381277
tert-butyl(2-phenoxypentan-2-yl)diazene
CID 173463425
ditert-butyldiazene;2,2-dimethylpropane;2,2,3,3-tetramethylbutane
CID 162254065

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butyldiazenyl)pentan-2-ol?
The IUPAC name of 2-(tert-butyldiazenyl)pentan-2-ol (CID 21412753) is 2-(tert-butyldiazenyl)pentan-2-ol.
What is the SMILES notation for 2-(tert-butyldiazenyl)pentan-2-ol?
The canonical SMILES for 2-(tert-butyldiazenyl)pentan-2-ol is CCCC(C)(O)/N=N/C(C)(C)C.
What is the InChIKey of 2-(tert-butyldiazenyl)pentan-2-ol?
The InChIKey is YLBZDQVYISSBIB-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H20N2O/c1-6-7-9(5,12)11-10-8(2,3)4/h12H,6-7H2,1-5H3/b11-10+.
What are the key properties of 2-(tert-butyldiazenyl)pentan-2-ol?
2-(tert-butyldiazenyl)pentan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butyldiazenyl)pentan-2-ol is sourced from PubChem (CID 21412753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).