[(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane

C28H36O4Si — CID 99738182

IUPAC[(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](O[C@@H]1C=CO[C@@H]2COC3(CCCCC3)O[C@@H]12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36O4Si/c1-27(2,3)33(22-13-7-4-8-14-22,23-15-9-5-10-16-23)32-24-17-20-29-25-21-30-28(31-26(24)25)18-11-6-12-19-28/h4-5,7-10,13-17,20,24-26H,6,11-12,18-19,21H2,1-3H3/t24-,25-,26+/m1/s1
InChIKeyKNJMNDGEMIBXDM-CYXNTTPDSA-N
MW464.68 g/mol
LogP4.92
Rot. Bonds4

About [(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane

[(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane (PubChem CID 99738182) has the molecular formula C28H36O4Si and a molecular weight of 464.68 g/mol. Its IUPAC name is [(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane
PubChem CID99738182
Molecular FormulaC28H36O4Si
Molecular Weight464.68 g/mol
Exact Mass464.24
IUPAC Name[(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](O[C@@H]1C=CO[C@@H]2COC3(CCCCC3)O[C@@H]12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H36O4Si/c1-27(2,3)33(22-13-7-4-8-14-22,23-15-9-5-10-16-23)32-24-17-20-29-25-21-30-28(31-26(24)25)18-11-6-12-19-28/h4-5,7-10,13-17,20,24-26H,6,11-12,18-19,21H2,1-3H3/t24-,25-,26+/m1/s1
InChIKeyKNJMNDGEMIBXDM-CYXNTTPDSA-N
XLogP4.92
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.68
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane with MolForge

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Related Compounds

tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane
CID 102251326
CID 10558048
CID 10558048
tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane
CID 11597593
tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane
CID 57041576
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal
CID 53248433
tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane
CID 102211926
(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one
CID 12039244
[(2R,3R,4R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methyl formate
CID 10628040
tert-butyl-[(3R)-2,2-dimethyloxolan-3-yl]oxy-diphenylsilane
CID 125472963
2-[(2S,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl]ethanol
CID 12039247
tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane
CID 146029391
1-[(1S,2S,7S,9S,12R)-7-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[3,5,8,13-tetraoxatricyclo[7.4.0.02,6]tridecane-4,1'-cyclohexane]-12-yl]propan-2-one
CID 157271692

Frequently Asked Questions

What is the IUPAC name of [(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of [(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane (CID 99738182) is [(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](O[C@@H]1C=CO[C@@H]2COC3(CCCCC3)O[C@@H]12)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane?
The InChIKey is KNJMNDGEMIBXDM-CYXNTTPDSA-N. The full InChI is InChI=1S/C28H36O4Si/c1-27(2,3)33(22-13-7-4-8-14-22,23-15-9-5-10-16-23)32-24-17-20-29-25-21-30-28(31-26(24)25)18-11-6-12-19-28/h4-5,7-10,13-17,20,24-26H,6,11-12,18-19,21H2,1-3H3/t24-,25-,26+/m1/s1.
What are the key properties of [(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane?
[(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane has a molecular weight of 464.68 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 99738182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).