tert-butyl-[(8-hydroperoxy-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]-dimethylsilane

C14H26O5Si — CID 135042828

IUPACtert-butyl-[(8-hydroperoxy-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1(OO)C=CC2(CC1)OCCO2
InChIInChI=1S/C14H26O5Si/c1-12(2,3)20(4,5)19-14(18-15)8-6-13(7-9-14)16-10-11-17-13/h6,8,15H,7,9-11H2,1-5H3
InChIKeyBHWZSJOGLABRTC-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.29
Rot. Bonds3

About tert-butyl-[(8-hydroperoxy-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]-dimethylsilane

tert-butyl-[(8-hydroperoxy-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]-dimethylsilane (PubChem CID 135042828) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is tert-butyl-[(8-hydroperoxy-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(8-hydroperoxy-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]-dimethylsilane
PubChem CID135042828
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Nametert-butyl-[(8-hydroperoxy-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1(OO)C=CC2(CC1)OCCO2
InChIInChI=1S/C14H26O5Si/c1-12(2,3)20(4,5)19-14(18-15)8-6-13(7-9-14)16-10-11-17-13/h6,8,15H,7,9-11H2,1-5H3
InChIKeyBHWZSJOGLABRTC-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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1,4-Dioxaspiro[4.5]dec-6-en-6-yl(trimethyl)silane
CID 85728290
tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane
CID 11425711
[(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-6-yl]-trimethylsilane
CID 134905865
1,4-Dioxaspiro[4.5]dec-6-en-7-yl(trimethyl)silane
CID 134975765
[(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]-trimethylsilane
CID 134975999
Tert-butyl-[(7-hydroperoxy-1,4-dioxaspiro[4.5]dec-8-en-8-yl)oxy]-dimethylsilane
CID 135042884
[(3aS,6bS)-2,2-dimethyl-5a,6b-dihydro-3aH-oxireno[2,3-g][1,3]benzodioxol-6a-yl]-hydroxy-dimethylsilane
CID 58805437
[(3aS,5aS,6aR,6bS)-2,2-dimethyl-5a,6b-dihydro-3aH-oxireno[2,3-g][1,3]benzodioxol-6a-yl]-hydroxy-dimethylsilane
CID 10014631
[(3aR,4R,7aR)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane
CID 11448993
tert-butyl-[[(5S)-1,6-dioxaspiro[4.5]dec-8-en-10-yl]oxy]-dimethylsilane
CID 102374819

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(8-hydroperoxy-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(8-hydroperoxy-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]-dimethylsilane (CID 135042828) is tert-butyl-[(8-hydroperoxy-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(8-hydroperoxy-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(8-hydroperoxy-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC1(OO)C=CC2(CC1)OCCO2.
What is the InChIKey of tert-butyl-[(8-hydroperoxy-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]-dimethylsilane?
The InChIKey is BHWZSJOGLABRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-12(2,3)20(4,5)19-14(18-15)8-6-13(7-9-14)16-10-11-17-13/h6,8,15H,7,9-11H2,1-5H3.
What are the key properties of tert-butyl-[(8-hydroperoxy-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]-dimethylsilane?
tert-butyl-[(8-hydroperoxy-1,4-dioxaspiro[4.5]dec-6-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-[(8-hydroperoxy-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]-dimethylsilane is sourced from PubChem (CID 135042828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).