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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Related Compounds

(9S,10R)-10-bromo-9-methyl-7,8,12-trioxaspiro[5.6]dodecane
CID 10778065
2-(1,4-dioxaspiro[4.7]dodecan-3-yl)propan-2-yl 2-methylprop-2-enoate
CID 167189874
(3R)-6-(2-hydroperoxypropan-2-yl)-3-methyl-3-phenyldioxane
CID 134928493
(3R,6S)-6-(2-hydroperoxypropan-2-yl)-3-methyl-3-(4-methylphenyl)dioxane
CID 11097484
3-hydroperoxy-3-methyl-1,2,5-trioxaspiro[5.5]undecane
CID 10560108
3-[1-(4-fluorophenyl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane
CID 14784680
tert-butyl (3R)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-enoate
CID 101403885
3-ethyl-1,4-dioxaspiro[4.4]nonane
CID 20802298
(1-tert-butylcyclopentyl) acetate
CID 58430277
2,3-ditert-butyl-1,4-dioxaspiro[4.4]nonane
CID 140637445
2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol
CID 113476285
2-[(9S)-6,10-dioxaspiro[4.5]decan-9-yl]-2-methylpropanal
CID 57217983

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).