[4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]methanol

C23H32O4Si — CID 13374023

IUPAC[4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]methanol
SMILESCOC1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(CO)O1
InChIInChI=1S/C23H32O4Si/c1-23(2,3)28(20-11-7-5-8-12-20,21-13-9-6-10-14-21)27-18-15-19(17-24)26-22(16-18)25-4/h5-14,18-19,22,24H,15-17H2,1-4H3
InChIKeyVQORJWOLODUHOC-UHFFFAOYSA-N
MW400.59 g/mol
LogP3.08
Rot. Bonds6

About [4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]methanol

[4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]methanol (PubChem CID 13374023) has the molecular formula C23H32O4Si and a molecular weight of 400.59 g/mol. Its IUPAC name is [4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]methanol
PubChem CID13374023
Molecular FormulaC23H32O4Si
Molecular Weight400.59 g/mol
Exact Mass400.21
IUPAC Name[4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]methanol
SMILESCOC1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(CO)O1
InChIInChI=1S/C23H32O4Si/c1-23(2,3)28(20-11-7-5-8-12-20,21-13-9-6-10-14-21)27-18-15-19(17-24)26-22(16-18)25-4/h5-14,18-19,22,24H,15-17H2,1-4H3
InChIKeyVQORJWOLODUHOC-UHFFFAOYSA-N
XLogP3.08
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 53.08
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-6-methoxyoxan-2-yl]methanol?
The IUPAC name of [4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]methanol (CID 13374023) is [4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]methanol.
What is the SMILES notation for [4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]methanol?
The canonical SMILES for [4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]methanol is COC1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(CO)O1.
What is the InChIKey of [4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]methanol?
The InChIKey is VQORJWOLODUHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O4Si/c1-23(2,3)28(20-11-7-5-8-12-20,21-13-9-6-10-14-21)27-18-15-19(17-24)26-22(16-18)25-4/h5-14,18-19,22,24H,15-17H2,1-4H3.
What are the key properties of [4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]methanol?
[4-[tert-butyl(diphenyl)silyl]oxy-6-methoxyoxan-2-yl]methanol has a molecular weight of 400.59 g/mol, XLogP of 3.08, 6 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-6-methoxyoxan-2-yl]methanol is sourced from PubChem (CID 13374023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).