2-[(2R,6R)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,5-dihydropyran-2-yl]ethoxy-tert-butyl-diphenylsilane

C32H40O5SSi — CID 11628320

IUPAC2-[(2R,6R)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,5-dihydropyran-2-yl]ethoxy-tert-butyl-diphenylsilane
SMILESCO[C@]1(CCS(=O)(=O)c2ccccc2)CC=C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C32H40O5SSi/c1-31(2,3)39(29-18-10-6-11-19-29,30-20-12-7-13-21-30)36-25-22-27-15-14-23-32(35-4,37-27)24-26-38(33,34)28-16-8-5-9-17-28/h5-21,27H,22-26H2,1-4H3/t27-,32+/m0/s1
InChIKeySBZNTIYSLBDZFW-QVWWMRLHSA-N
MW564.82 g/mol
LogP5.50
Rot. Bonds11

About 2-[(2R,6R)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,5-dihydropyran-2-yl]ethoxy-tert-butyl-diphenylsilane

2-[(2R,6R)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,5-dihydropyran-2-yl]ethoxy-tert-butyl-diphenylsilane (PubChem CID 11628320) has the molecular formula C32H40O5SSi and a molecular weight of 564.82 g/mol. Its IUPAC name is 2-[(2R,6R)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,5-dihydropyran-2-yl]ethoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name2-[(2R,6R)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,5-dihydropyran-2-yl]ethoxy-tert-butyl-diphenylsilane
PubChem CID11628320
Molecular FormulaC32H40O5SSi
Molecular Weight564.82 g/mol
Exact Mass564.24
IUPAC Name2-[(2R,6R)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,5-dihydropyran-2-yl]ethoxy-tert-butyl-diphenylsilane
SMILESCO[C@]1(CCS(=O)(=O)c2ccccc2)CC=C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C32H40O5SSi/c1-31(2,3)39(29-18-10-6-11-19-29,30-20-12-7-13-21-30)36-25-22-27-15-14-23-32(35-4,37-27)24-26-38(33,34)28-16-8-5-9-17-28/h5-21,27H,22-26H2,1-4H3/t27-,32+/m0/s1
InChIKeySBZNTIYSLBDZFW-QVWWMRLHSA-N
XLogP5.50
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.82
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,5-dihydropyran-2-yl]ethoxy-tert-butyl-diphenylsilane?
The IUPAC name of 2-[(2R,6R)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,5-dihydropyran-2-yl]ethoxy-tert-butyl-diphenylsilane (CID 11628320) is 2-[(2R,6R)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,5-dihydropyran-2-yl]ethoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 2-[(2R,6R)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,5-dihydropyran-2-yl]ethoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 2-[(2R,6R)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,5-dihydropyran-2-yl]ethoxy-tert-butyl-diphenylsilane is CO[C@]1(CCS(=O)(=O)c2ccccc2)CC=C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of 2-[(2R,6R)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,5-dihydropyran-2-yl]ethoxy-tert-butyl-diphenylsilane?
The InChIKey is SBZNTIYSLBDZFW-QVWWMRLHSA-N. The full InChI is InChI=1S/C32H40O5SSi/c1-31(2,3)39(29-18-10-6-11-19-29,30-20-12-7-13-21-30)36-25-22-27-15-14-23-32(35-4,37-27)24-26-38(33,34)28-16-8-5-9-17-28/h5-21,27H,22-26H2,1-4H3/t27-,32+/m0/s1.
What are the key properties of 2-[(2R,6R)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,5-dihydropyran-2-yl]ethoxy-tert-butyl-diphenylsilane?
2-[(2R,6R)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,5-dihydropyran-2-yl]ethoxy-tert-butyl-diphenylsilane has a molecular weight of 564.82 g/mol, XLogP of 5.50, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-6-[2-(benzenesulfonyl)ethyl]-6-methoxy-2,5-dihydropyran-2-yl]ethoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 11628320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).