(2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-bis(phenylmethoxy)pentan-3-ol

C36H44O4Si — CID 10674554

IUPAC(2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-bis(phenylmethoxy)pentan-3-ol
SMILESCC[C@@](O)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C36H44O4Si/c1-5-36(37,34(39-27-31-20-12-7-13-21-31)28-38-26-30-18-10-6-11-19-30)29-40-41(35(2,3)4,32-22-14-8-15-23-32)33-24-16-9-17-25-33/h6-25,34,37H,5,26-29H2,1-4H3/t34-,36+/m0/s1
InChIKeyNYVHLCODFARPLX-PUDHBBIYSA-N
MW568.83 g/mol
LogP6.51
Rot. Bonds14

About (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-bis(phenylmethoxy)pentan-3-ol

(2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-bis(phenylmethoxy)pentan-3-ol (PubChem CID 10674554) has the molecular formula C36H44O4Si and a molecular weight of 568.83 g/mol. Its IUPAC name is (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-bis(phenylmethoxy)pentan-3-ol.

Molecular Properties

Compound Name(2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-bis(phenylmethoxy)pentan-3-ol
PubChem CID10674554
Molecular FormulaC36H44O4Si
Molecular Weight568.83 g/mol
Exact Mass568.30
IUPAC Name(2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-bis(phenylmethoxy)pentan-3-ol
SMILESCC[C@@](O)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C36H44O4Si/c1-5-36(37,34(39-27-31-20-12-7-13-21-31)28-38-26-30-18-10-6-11-19-30)29-40-41(35(2,3)4,32-22-14-8-15-23-32)33-24-16-9-17-25-33/h6-25,34,37H,5,26-29H2,1-4H3/t34-,36+/m0/s1
InChIKeyNYVHLCODFARPLX-PUDHBBIYSA-N
XLogP6.51
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.83
LogP ≤ 56.51
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 (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-bis(phenylmethoxy)pentan-3-ol?
The IUPAC name of (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-bis(phenylmethoxy)pentan-3-ol (CID 10674554) is (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-bis(phenylmethoxy)pentan-3-ol.
What is the SMILES notation for (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-bis(phenylmethoxy)pentan-3-ol?
The canonical SMILES for (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-bis(phenylmethoxy)pentan-3-ol is CC[C@@](O)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](COCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-bis(phenylmethoxy)pentan-3-ol?
The InChIKey is NYVHLCODFARPLX-PUDHBBIYSA-N. The full InChI is InChI=1S/C36H44O4Si/c1-5-36(37,34(39-27-31-20-12-7-13-21-31)28-38-26-30-18-10-6-11-19-30)29-40-41(35(2,3)4,32-22-14-8-15-23-32)33-24-16-9-17-25-33/h6-25,34,37H,5,26-29H2,1-4H3/t34-,36+/m0/s1.
What are the key properties of (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-bis(phenylmethoxy)pentan-3-ol?
(2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-bis(phenylmethoxy)pentan-3-ol has a molecular weight of 568.83 g/mol, XLogP of 6.51, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-bis(phenylmethoxy)pentan-3-ol is sourced from PubChem (CID 10674554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).