2-[(2-methylpropan-2-yl)oxyperoxy]propan-2-yl hydrogen carbonate

C8H16O6 — CID 151418656

IUPAC2-[(2-methylpropan-2-yl)oxyperoxy]propan-2-yl hydrogen carbonate
SMILESCC(C)(C)OOOC(C)(C)OC(=O)O
InChIInChI=1S/C8H16O6/c1-7(2,3)12-14-13-8(4,5)11-6(9)10/h1-5H3,(H,9,10)
InChIKeyPABJZSGFLYVGHA-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.10
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxyperoxy]propan-2-yl hydrogen carbonate

2-[(2-methylpropan-2-yl)oxyperoxy]propan-2-yl hydrogen carbonate (PubChem CID 151418656) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxyperoxy]propan-2-yl hydrogen carbonate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxyperoxy]propan-2-yl hydrogen carbonate
PubChem CID151418656
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name2-[(2-methylpropan-2-yl)oxyperoxy]propan-2-yl hydrogen carbonate
SMILESCC(C)(C)OOOC(C)(C)OC(=O)O
InChIInChI=1S/C8H16O6/c1-7(2,3)12-14-13-8(4,5)11-6(9)10/h1-5H3,(H,9,10)
InChIKeyPABJZSGFLYVGHA-UHFFFAOYSA-N
XLogP2.10
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxyperoxy]propan-2-yl hydrogen carbonate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxyperoxy]propan-2-yl hydrogen carbonate (CID 151418656) is 2-[(2-methylpropan-2-yl)oxyperoxy]propan-2-yl hydrogen carbonate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxyperoxy]propan-2-yl hydrogen carbonate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxyperoxy]propan-2-yl hydrogen carbonate is CC(C)(C)OOOC(C)(C)OC(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxyperoxy]propan-2-yl hydrogen carbonate?
The InChIKey is PABJZSGFLYVGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O6/c1-7(2,3)12-14-13-8(4,5)11-6(9)10/h1-5H3,(H,9,10).
What are the key properties of 2-[(2-methylpropan-2-yl)oxyperoxy]propan-2-yl hydrogen carbonate?
2-[(2-methylpropan-2-yl)oxyperoxy]propan-2-yl hydrogen carbonate has a molecular weight of 208.21 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxyperoxy]propan-2-yl hydrogen carbonate is sourced from PubChem (CID 151418656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).