(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol

C28H36O4Si — CID 10928710

IUPAC(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol
SMILESCOc1ccc(CO[C@@H](CCO)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C28H36O4Si/c1-28(2,3)33(26-11-7-5-8-12-26,27-13-9-6-10-14-27)32-22-25(19-20-29)31-21-23-15-17-24(30-4)18-16-23/h5-18,25,29H,19-22H2,1-4H3/t25-/m0/s1
InChIKeyCRXNCCDFWRSOCY-VWLOTQADSA-N
MW464.68 g/mol
LogP4.54
Rot. Bonds11

About (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol

(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol (PubChem CID 10928710) has the molecular formula C28H36O4Si and a molecular weight of 464.68 g/mol. Its IUPAC name is (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol.

Molecular Properties

Compound Name(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol
PubChem CID10928710
Molecular FormulaC28H36O4Si
Molecular Weight464.68 g/mol
Exact Mass464.24
IUPAC Name(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol
SMILESCOc1ccc(CO[C@@H](CCO)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C28H36O4Si/c1-28(2,3)33(26-11-7-5-8-12-26,27-13-9-6-10-14-27)32-22-25(19-20-29)31-21-23-15-17-24(30-4)18-16-23/h5-18,25,29H,19-22H2,1-4H3/t25-/m0/s1
InChIKeyCRXNCCDFWRSOCY-VWLOTQADSA-N
XLogP4.54
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.68
LogP ≤ 54.54
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 (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol?
The IUPAC name of (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol (CID 10928710) is (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol.
What is the SMILES notation for (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol?
The canonical SMILES for (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol is COc1ccc(CO[C@@H](CCO)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol?
The InChIKey is CRXNCCDFWRSOCY-VWLOTQADSA-N. The full InChI is InChI=1S/C28H36O4Si/c1-28(2,3)33(26-11-7-5-8-12-26,27-13-9-6-10-14-27)32-22-25(19-20-29)31-21-23-15-17-24(30-4)18-16-23/h5-18,25,29H,19-22H2,1-4H3/t25-/m0/s1.
What are the key properties of (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol?
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol has a molecular weight of 464.68 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol is sourced from PubChem (CID 10928710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).