2-(tert-butyldiazenyl)propan-2-yl methyl carbonate

C9H18N2O3 — CID 21495835

IUPAC2-(tert-butyldiazenyl)propan-2-yl methyl carbonate
SMILESCOC(=O)OC(C)(C)/N=N/C(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-8(2,3)10-11-9(4,5)14-7(12)13-6/h1-6H3/b11-10+
InChIKeyAXOGWUBQEPVSPP-ZHACJKMWSA-N
MW202.25 g/mol
LogP2.76
Rot. Bonds2

About 2-(tert-butyldiazenyl)propan-2-yl methyl carbonate

2-(tert-butyldiazenyl)propan-2-yl methyl carbonate (PubChem CID 21495835) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(tert-butyldiazenyl)propan-2-yl methyl carbonate.

Molecular Properties

Compound Name2-(tert-butyldiazenyl)propan-2-yl methyl carbonate
PubChem CID21495835
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-(tert-butyldiazenyl)propan-2-yl methyl carbonate
SMILESCOC(=O)OC(C)(C)/N=N/C(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-8(2,3)10-11-9(4,5)14-7(12)13-6/h1-6H3/b11-10+
InChIKeyAXOGWUBQEPVSPP-ZHACJKMWSA-N
XLogP2.76
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

methyl 2,2,3,4,4-pentamethylpentan-3-yl carbonate
CID 167539841
tert-butyl(2-hydroperoxypropan-2-yl)diazene
CID 13429215
(1,1,1,3,3,3-hexabromo-2-methylpropan-2-yl) methyl carbonate
CID 59927307
2-[2-(2-methylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 2-methylprop-2-enoate
CID 150274011
dimethyl carbonate;ethane
CID 160632176
methyl (2S)-2-hydroxy-3,3-dimethylbutanoate
CID 10953657
ditert-butyldiazene;dihydrochloride
CID 172805656
1,1,2,2,3,3,3-heptafluoropropyl methyl carbonate
CID 23432502
magnesium;dimethyl carbonate;hydride
CID 173223307
methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate
CID 62488791
(2S)-2-hydroxy-2,3-dimethylbutanoic acid;methyl (2S)-2-hydroxy-3-methylbutanoate
CID 158364328
methyl 4-(2-hydroxyethyl)-5,5-dimethylhexanoate
CID 10241957

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butyldiazenyl)propan-2-yl methyl carbonate?
The IUPAC name of 2-(tert-butyldiazenyl)propan-2-yl methyl carbonate (CID 21495835) is 2-(tert-butyldiazenyl)propan-2-yl methyl carbonate.
What is the SMILES notation for 2-(tert-butyldiazenyl)propan-2-yl methyl carbonate?
The canonical SMILES for 2-(tert-butyldiazenyl)propan-2-yl methyl carbonate is COC(=O)OC(C)(C)/N=N/C(C)(C)C.
What is the InChIKey of 2-(tert-butyldiazenyl)propan-2-yl methyl carbonate?
The InChIKey is AXOGWUBQEPVSPP-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-8(2,3)10-11-9(4,5)14-7(12)13-6/h1-6H3/b11-10+.
What are the key properties of 2-(tert-butyldiazenyl)propan-2-yl methyl carbonate?
2-(tert-butyldiazenyl)propan-2-yl methyl carbonate has a molecular weight of 202.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butyldiazenyl)propan-2-yl methyl carbonate is sourced from PubChem (CID 21495835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).