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

C34H40O4Si — CID 15829737

IUPAC(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,4-bis(phenylmethoxy)butan-2-ol
SMILESCC(C)(C)[Si](O[C@@H](COCc1ccccc1)[C@H](O)COCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H40O4Si/c1-34(2,3)39(30-20-12-6-13-21-30,31-22-14-7-15-23-31)38-33(27-37-25-29-18-10-5-11-19-29)32(35)26-36-24-28-16-8-4-9-17-28/h4-23,32-33,35H,24-27H2,1-3H3/t32-,33+/m1/s1
InChIKeyXFLNFEIDDWVGSW-SAIUNTKASA-N
MW540.78 g/mol
LogP5.73
Rot. Bonds13

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

(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,4-bis(phenylmethoxy)butan-2-ol (PubChem CID 15829737) has the molecular formula C34H40O4Si and a molecular weight of 540.78 g/mol. Its IUPAC name is (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,4-bis(phenylmethoxy)butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,4-bis(phenylmethoxy)butan-2-ol
PubChem CID15829737
Molecular FormulaC34H40O4Si
Molecular Weight540.78 g/mol
Exact Mass540.27
IUPAC Name(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,4-bis(phenylmethoxy)butan-2-ol
SMILESCC(C)(C)[Si](O[C@@H](COCc1ccccc1)[C@H](O)COCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H40O4Si/c1-34(2,3)39(30-20-12-6-13-21-30,31-22-14-7-15-23-31)38-33(27-37-25-29-18-10-5-11-19-29)32(35)26-36-24-28-16-8-4-9-17-28/h4-23,32-33,35H,24-27H2,1-3H3/t32-,33+/m1/s1
InChIKeyXFLNFEIDDWVGSW-SAIUNTKASA-N
XLogP5.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.78
LogP ≤ 55.73
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)-3-[tert-butyl(diphenyl)silyl]oxy-1,4-bis(phenylmethoxy)butan-2-ol?
The IUPAC name of (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,4-bis(phenylmethoxy)butan-2-ol (CID 15829737) is (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,4-bis(phenylmethoxy)butan-2-ol.
What is the SMILES notation for (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,4-bis(phenylmethoxy)butan-2-ol?
The canonical SMILES for (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,4-bis(phenylmethoxy)butan-2-ol is CC(C)(C)[Si](O[C@@H](COCc1ccccc1)[C@H](O)COCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,4-bis(phenylmethoxy)butan-2-ol?
The InChIKey is XFLNFEIDDWVGSW-SAIUNTKASA-N. The full InChI is InChI=1S/C34H40O4Si/c1-34(2,3)39(30-20-12-6-13-21-30,31-22-14-7-15-23-31)38-33(27-37-25-29-18-10-5-11-19-29)32(35)26-36-24-28-16-8-4-9-17-28/h4-23,32-33,35H,24-27H2,1-3H3/t32-,33+/m1/s1.
What are the key properties of (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,4-bis(phenylmethoxy)butan-2-ol?
(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,4-bis(phenylmethoxy)butan-2-ol has a molecular weight of 540.78 g/mol, XLogP of 5.73, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,4-bis(phenylmethoxy)butan-2-ol is sourced from PubChem (CID 15829737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).