8-(2-hydroperoxypropan-2-yl)-6,7,10-trioxaspiro[4.5]decane

C10H18O5 — CID 134896179

IUPAC8-(2-hydroperoxypropan-2-yl)-6,7,10-trioxaspiro[4.5]decane
SMILESCC(C)(OO)C1COC2(CCCC2)OO1
InChIInChI=1S/C10H18O5/c1-9(2,14-11)8-7-12-10(15-13-8)5-3-4-6-10/h8,11H,3-7H2,1-2H3
InChIKeyLIGBMZOOAFERGD-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.87
Rot. Bonds2

About 8-(2-hydroperoxypropan-2-yl)-6,7,10-trioxaspiro[4.5]decane

8-(2-hydroperoxypropan-2-yl)-6,7,10-trioxaspiro[4.5]decane (PubChem CID 134896179) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 8-(2-hydroperoxypropan-2-yl)-6,7,10-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-hydroperoxypropan-2-yl)-6,7,10-trioxaspiro[4.5]decane
PubChem CID134896179
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name8-(2-hydroperoxypropan-2-yl)-6,7,10-trioxaspiro[4.5]decane
SMILESCC(C)(OO)C1COC2(CCCC2)OO1
InChIInChI=1S/C10H18O5/c1-9(2,14-11)8-7-12-10(15-13-8)5-3-4-6-10/h8,11H,3-7H2,1-2H3
InChIKeyLIGBMZOOAFERGD-UHFFFAOYSA-N
XLogP1.87
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 8-(2-hydroperoxypropan-2-yl)-6,7,10-trioxaspiro[4.5]decane?
The IUPAC name of 8-(2-hydroperoxypropan-2-yl)-6,7,10-trioxaspiro[4.5]decane (CID 134896179) is 8-(2-hydroperoxypropan-2-yl)-6,7,10-trioxaspiro[4.5]decane.
What is the SMILES notation for 8-(2-hydroperoxypropan-2-yl)-6,7,10-trioxaspiro[4.5]decane?
The canonical SMILES for 8-(2-hydroperoxypropan-2-yl)-6,7,10-trioxaspiro[4.5]decane is CC(C)(OO)C1COC2(CCCC2)OO1.
What is the InChIKey of 8-(2-hydroperoxypropan-2-yl)-6,7,10-trioxaspiro[4.5]decane?
The InChIKey is LIGBMZOOAFERGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-9(2,14-11)8-7-12-10(15-13-8)5-3-4-6-10/h8,11H,3-7H2,1-2H3.
What are the key properties of 8-(2-hydroperoxypropan-2-yl)-6,7,10-trioxaspiro[4.5]decane?
8-(2-hydroperoxypropan-2-yl)-6,7,10-trioxaspiro[4.5]decane has a molecular weight of 218.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroperoxypropan-2-yl)-6,7,10-trioxaspiro[4.5]decane is sourced from PubChem (CID 134896179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).