tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane

C26H36O3Si — CID 146029391

IUPACtert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane
SMILESCC1(C)CC2(CC[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCCO2
InChIInChI=1S/C26H36O3Si/c1-24(2,3)30(21-12-8-6-9-13-21,22-14-10-7-11-15-22)29-23-16-17-26(20-25(23,4)5)27-18-19-28-26/h6-15,23H,16-20H2,1-5H3/t23-/m0/s1
InChIKeyLGUKHTSWAJMKLT-QHCPKHFHSA-N
MW424.66 g/mol
LogP4.88
Rot. Bonds4

About tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane

tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane (PubChem CID 146029391) has the molecular formula C26H36O3Si and a molecular weight of 424.66 g/mol. Its IUPAC name is tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane
PubChem CID146029391
Molecular FormulaC26H36O3Si
Molecular Weight424.66 g/mol
Exact Mass424.24
IUPAC Nametert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane
SMILESCC1(C)CC2(CC[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCCO2
InChIInChI=1S/C26H36O3Si/c1-24(2,3)30(21-12-8-6-9-13-21,22-14-10-7-11-15-22)29-23-16-17-26(20-25(23,4)5)27-18-19-28-26/h6-15,23H,16-20H2,1-5H3/t23-/m0/s1
InChIKeyLGUKHTSWAJMKLT-QHCPKHFHSA-N
XLogP4.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.66
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(3R)-2,2-dimethyloxolan-3-yl]oxy-diphenylsilane
CID 125472963
(7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one
CID 67092775
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane
CID 57041576
(5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10453157
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
(5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one
CID 10250796
(6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one
CID 152599118
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane
CID 11462313
tert-butyl-[4-(4-iodopiperidin-1-yl)-4-methyloxolan-3-yl]oxy-diphenylsilane
CID 156730757

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane (CID 146029391) is tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane is CC1(C)CC2(CC[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCCO2.
What is the InChIKey of tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane?
The InChIKey is LGUKHTSWAJMKLT-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H36O3Si/c1-24(2,3)30(21-12-8-6-9-13-21,22-14-10-7-11-15-22)29-23-16-17-26(20-25(23,4)5)27-18-19-28-26/h6-15,23H,16-20H2,1-5H3/t23-/m0/s1.
What are the key properties of tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane?
tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane has a molecular weight of 424.66 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane is sourced from PubChem (CID 146029391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).