4-[tert-butyl(diphenyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-ol

C38H46O4Si2 — CID 4550720

IUPAC4-[tert-butyl(diphenyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-ol
SMILESCC(C)(C)[Si](OCC1OC=CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H46O4Si2/c1-37(2,3)43(30-19-11-7-12-20-30,31-21-13-8-14-22-31)41-29-35-36(39)34(27-28-40-35)42-44(38(4,5)6,32-23-15-9-16-24-32)33-25-17-10-18-26-33/h7-28,34-36,39H,29H2,1-6H3
InChIKeyCWKMLPNAHWLONH-UHFFFAOYSA-N
MW622.95 g/mol
LogP5.78
Rot. Bonds9

About 4-[tert-butyl(diphenyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-ol

4-[tert-butyl(diphenyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-ol (PubChem CID 4550720) has the molecular formula C38H46O4Si2 and a molecular weight of 622.95 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-ol
PubChem CID4550720
Molecular FormulaC38H46O4Si2
Molecular Weight622.95 g/mol
Exact Mass622.29
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-ol
SMILESCC(C)(C)[Si](OCC1OC=CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H46O4Si2/c1-37(2,3)43(30-19-11-7-12-20-30,31-21-13-8-14-22-31)41-29-35-36(39)34(27-28-40-35)42-44(38(4,5)6,32-23-15-9-16-24-32)33-25-17-10-18-26-33/h7-28,34-36,39H,29H2,1-6H3
InChIKeyCWKMLPNAHWLONH-UHFFFAOYSA-N
XLogP5.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.95
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-ol?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-ol (CID 4550720) is 4-[tert-butyl(diphenyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-ol?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-ol is CC(C)(C)[Si](OCC1OC=CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-ol?
The InChIKey is CWKMLPNAHWLONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46O4Si2/c1-37(2,3)43(30-19-11-7-12-20-30,31-21-13-8-14-22-31)41-29-35-36(39)34(27-28-40-35)42-44(38(4,5)6,32-23-15-9-16-24-32)33-25-17-10-18-26-33/h7-28,34-36,39H,29H2,1-6H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-ol?
4-[tert-butyl(diphenyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-ol has a molecular weight of 622.95 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 4550720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).