(2R,3S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-2-methyl-3-phenylmethoxybutan-2-ol

C44H54O4Si2 — CID 10628522

IUPAC(2R,3S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-2-methyl-3-phenylmethoxybutan-2-ol
SMILESCC(C)(C)[Si](OC[C@H](OCc1ccccc1)[C@](C)(O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H54O4Si2/c1-42(2,3)49(37-25-15-9-16-26-37,38-27-17-10-18-28-38)47-34-41(46-33-36-23-13-8-14-24-36)44(7,45)35-48-50(43(4,5)6,39-29-19-11-20-30-39)40-31-21-12-22-32-40/h8-32,41,45H,33-35H2,1-7H3/t41-,44+/m0/s1
InChIKeyUEJHBTVPSMSILU-HTOSQESHSA-N
MW703.08 g/mol
LogP7.48
Rot. Bonds14

About (2R,3S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-2-methyl-3-phenylmethoxybutan-2-ol

(2R,3S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-2-methyl-3-phenylmethoxybutan-2-ol (PubChem CID 10628522) has the molecular formula C44H54O4Si2 and a molecular weight of 703.08 g/mol. Its IUPAC name is (2R,3S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-2-methyl-3-phenylmethoxybutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-2-methyl-3-phenylmethoxybutan-2-ol
PubChem CID10628522
Molecular FormulaC44H54O4Si2
Molecular Weight703.08 g/mol
Exact Mass702.36
IUPAC Name(2R,3S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-2-methyl-3-phenylmethoxybutan-2-ol
SMILESCC(C)(C)[Si](OC[C@H](OCc1ccccc1)[C@](C)(O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H54O4Si2/c1-42(2,3)49(37-25-15-9-16-26-37,38-27-17-10-18-28-38)47-34-41(46-33-36-23-13-8-14-24-36)44(7,45)35-48-50(43(4,5)6,39-29-19-11-20-30-39)40-31-21-12-22-32-40/h8-32,41,45H,33-35H2,1-7H3/t41-,44+/m0/s1
InChIKeyUEJHBTVPSMSILU-HTOSQESHSA-N
XLogP7.48
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.08
LogP ≤ 57.48
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 (2R,3S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-2-methyl-3-phenylmethoxybutan-2-ol?
The IUPAC name of (2R,3S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-2-methyl-3-phenylmethoxybutan-2-ol (CID 10628522) is (2R,3S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-2-methyl-3-phenylmethoxybutan-2-ol.
What is the SMILES notation for (2R,3S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-2-methyl-3-phenylmethoxybutan-2-ol?
The canonical SMILES for (2R,3S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-2-methyl-3-phenylmethoxybutan-2-ol is CC(C)(C)[Si](OC[C@H](OCc1ccccc1)[C@](C)(O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-2-methyl-3-phenylmethoxybutan-2-ol?
The InChIKey is UEJHBTVPSMSILU-HTOSQESHSA-N. The full InChI is InChI=1S/C44H54O4Si2/c1-42(2,3)49(37-25-15-9-16-26-37,38-27-17-10-18-28-38)47-34-41(46-33-36-23-13-8-14-24-36)44(7,45)35-48-50(43(4,5)6,39-29-19-11-20-30-39)40-31-21-12-22-32-40/h8-32,41,45H,33-35H2,1-7H3/t41-,44+/m0/s1.
What are the key properties of (2R,3S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-2-methyl-3-phenylmethoxybutan-2-ol?
(2R,3S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-2-methyl-3-phenylmethoxybutan-2-ol has a molecular weight of 703.08 g/mol, XLogP of 7.48, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-2-methyl-3-phenylmethoxybutan-2-ol is sourced from PubChem (CID 10628522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).