tert-butyl-[(7-hydroperoxy-1,4-dioxaspiro[4.5]dec-8-en-8-yl)oxy]-dimethylsilane

C14H26O5Si — CID 135042884

IUPACtert-butyl-[(7-hydroperoxy-1,4-dioxaspiro[4.5]dec-8-en-8-yl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CCC2(CC1OO)OCCO2
InChIInChI=1S/C14H26O5Si/c1-13(2,3)20(4,5)19-11-6-7-14(10-12(11)18-15)16-8-9-17-14/h6,12,15H,7-10H2,1-5H3
InChIKeyJGRLDERLLJCDHQ-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.29
Rot. Bonds3

About tert-butyl-[(7-hydroperoxy-1,4-dioxaspiro[4.5]dec-8-en-8-yl)oxy]-dimethylsilane

tert-butyl-[(7-hydroperoxy-1,4-dioxaspiro[4.5]dec-8-en-8-yl)oxy]-dimethylsilane (PubChem CID 135042884) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is tert-butyl-[(7-hydroperoxy-1,4-dioxaspiro[4.5]dec-8-en-8-yl)oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(7-hydroperoxy-1,4-dioxaspiro[4.5]dec-8-en-8-yl)oxy]-dimethylsilane
PubChem CID135042884
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Nametert-butyl-[(7-hydroperoxy-1,4-dioxaspiro[4.5]dec-8-en-8-yl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CCC2(CC1OO)OCCO2
InChIInChI=1S/C14H26O5Si/c1-13(2,3)20(4,5)19-11-6-7-14(10-12(11)18-15)16-8-9-17-14/h6,12,15H,7-10H2,1-5H3
InChIKeyJGRLDERLLJCDHQ-UHFFFAOYSA-N
XLogP3.29
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Silane, (1,4-dioxaspiro[4.5]dec-7-en-8-yloxy)trimethyl-
CID 45141927
[(3aR,7aR)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-trimethylsilane
CID 46180361
Tert-butyl-(1,4-dioxaspiro[4.5]dec-7-en-8-yloxy)-dimethylsilane
CID 73292067
[(3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triethylsilane
CID 134969663
Tert-butyl-[(8-hydroperoxy-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]-dimethylsilane
CID 135042828
8-[Tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol
CID 135042829
[(3aS,6aR,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxol-4-yl]-hydroxy-dimethylsilane
CID 58805464
[(3aS,4S,7aS)-2,6-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane
CID 58864890
[(3aS,6bS)-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxol-4-yl]-hydroxy-dimethylsilane
CID 58969267
(3aS,4S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 123311702
(3aS,4S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 173842376
(3aS,4R,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 9994997

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(7-hydroperoxy-1,4-dioxaspiro[4.5]dec-8-en-8-yl)oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(7-hydroperoxy-1,4-dioxaspiro[4.5]dec-8-en-8-yl)oxy]-dimethylsilane (CID 135042884) is tert-butyl-[(7-hydroperoxy-1,4-dioxaspiro[4.5]dec-8-en-8-yl)oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(7-hydroperoxy-1,4-dioxaspiro[4.5]dec-8-en-8-yl)oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(7-hydroperoxy-1,4-dioxaspiro[4.5]dec-8-en-8-yl)oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC1=CCC2(CC1OO)OCCO2.
What is the InChIKey of tert-butyl-[(7-hydroperoxy-1,4-dioxaspiro[4.5]dec-8-en-8-yl)oxy]-dimethylsilane?
The InChIKey is JGRLDERLLJCDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-13(2,3)20(4,5)19-11-6-7-14(10-12(11)18-15)16-8-9-17-14/h6,12,15H,7-10H2,1-5H3.
What are the key properties of tert-butyl-[(7-hydroperoxy-1,4-dioxaspiro[4.5]dec-8-en-8-yl)oxy]-dimethylsilane?
tert-butyl-[(7-hydroperoxy-1,4-dioxaspiro[4.5]dec-8-en-8-yl)oxy]-dimethylsilane has a molecular weight of 302.44 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(7-hydroperoxy-1,4-dioxaspiro[4.5]dec-8-en-8-yl)oxy]-dimethylsilane is sourced from PubChem (CID 135042884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).