(5R,6R)-8-[tert-butyl(diphenyl)silyl]oxy-1-(3,6-dihydro-2H-pyran-6-yl)-5-methyl-6-triethylsilyloxyoctan-3-ol

C36H58O4Si2 — CID 11250493

IUPAC(5R,6R)-8-[tert-butyl(diphenyl)silyl]oxy-1-(3,6-dihydro-2H-pyran-6-yl)-5-methyl-6-triethylsilyloxyoctan-3-ol
SMILESCC[Si](CC)(CC)O[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)CC(O)CCC1C=CCCO1
InChIInChI=1S/C36H58O4Si2/c1-8-41(9-2,10-3)40-35(30(4)29-31(37)24-25-32-19-17-18-27-38-32)26-28-39-42(36(5,6)7,33-20-13-11-14-21-33)34-22-15-12-16-23-34/h11-17,19-23,30-32,35,37H,8-10,18,24-29H2,1-7H3/t30-,31?,32?,35-/m1/s1
InChIKeyFNFUELLZIUGJAU-QHASOFPSSA-N
MW611.03 g/mol
LogP7.86
Rot. Bonds17

About (5R,6R)-8-[tert-butyl(diphenyl)silyl]oxy-1-(3,6-dihydro-2H-pyran-6-yl)-5-methyl-6-triethylsilyloxyoctan-3-ol

(5R,6R)-8-[tert-butyl(diphenyl)silyl]oxy-1-(3,6-dihydro-2H-pyran-6-yl)-5-methyl-6-triethylsilyloxyoctan-3-ol (PubChem CID 11250493) has the molecular formula C36H58O4Si2 and a molecular weight of 611.03 g/mol. Its IUPAC name is (5R,6R)-8-[tert-butyl(diphenyl)silyl]oxy-1-(3,6-dihydro-2H-pyran-6-yl)-5-methyl-6-triethylsilyloxyoctan-3-ol.

Molecular Properties

Compound Name(5R,6R)-8-[tert-butyl(diphenyl)silyl]oxy-1-(3,6-dihydro-2H-pyran-6-yl)-5-methyl-6-triethylsilyloxyoctan-3-ol
PubChem CID11250493
Molecular FormulaC36H58O4Si2
Molecular Weight611.03 g/mol
Exact Mass610.39
IUPAC Name(5R,6R)-8-[tert-butyl(diphenyl)silyl]oxy-1-(3,6-dihydro-2H-pyran-6-yl)-5-methyl-6-triethylsilyloxyoctan-3-ol
SMILESCC[Si](CC)(CC)O[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)CC(O)CCC1C=CCCO1
InChIInChI=1S/C36H58O4Si2/c1-8-41(9-2,10-3)40-35(30(4)29-31(37)24-25-32-19-17-18-27-38-32)26-28-39-42(36(5,6)7,33-20-13-11-14-21-33)34-22-15-12-16-23-34/h11-17,19-23,30-32,35,37H,8-10,18,24-29H2,1-7H3/t30-,31?,32?,35-/m1/s1
InChIKeyFNFUELLZIUGJAU-QHASOFPSSA-N
XLogP7.86
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.03
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R,6R)-8-[tert-butyl(diphenyl)silyl]oxy-1-(3,6-dihydro-2H-pyran-6-yl)-5-methyl-6-triethylsilyloxyoctan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-8-[tert-butyl(diphenyl)silyl]oxy-1-(3,6-dihydro-2H-pyran-6-yl)-5-methyl-6-triethylsilyloxyoctan-3-ol?
The IUPAC name of (5R,6R)-8-[tert-butyl(diphenyl)silyl]oxy-1-(3,6-dihydro-2H-pyran-6-yl)-5-methyl-6-triethylsilyloxyoctan-3-ol (CID 11250493) is (5R,6R)-8-[tert-butyl(diphenyl)silyl]oxy-1-(3,6-dihydro-2H-pyran-6-yl)-5-methyl-6-triethylsilyloxyoctan-3-ol.
What is the SMILES notation for (5R,6R)-8-[tert-butyl(diphenyl)silyl]oxy-1-(3,6-dihydro-2H-pyran-6-yl)-5-methyl-6-triethylsilyloxyoctan-3-ol?
The canonical SMILES for (5R,6R)-8-[tert-butyl(diphenyl)silyl]oxy-1-(3,6-dihydro-2H-pyran-6-yl)-5-methyl-6-triethylsilyloxyoctan-3-ol is CC[Si](CC)(CC)O[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)CC(O)CCC1C=CCCO1.
What is the InChIKey of (5R,6R)-8-[tert-butyl(diphenyl)silyl]oxy-1-(3,6-dihydro-2H-pyran-6-yl)-5-methyl-6-triethylsilyloxyoctan-3-ol?
The InChIKey is FNFUELLZIUGJAU-QHASOFPSSA-N. The full InChI is InChI=1S/C36H58O4Si2/c1-8-41(9-2,10-3)40-35(30(4)29-31(37)24-25-32-19-17-18-27-38-32)26-28-39-42(36(5,6)7,33-20-13-11-14-21-33)34-22-15-12-16-23-34/h11-17,19-23,30-32,35,37H,8-10,18,24-29H2,1-7H3/t30-,31?,32?,35-/m1/s1.
What are the key properties of (5R,6R)-8-[tert-butyl(diphenyl)silyl]oxy-1-(3,6-dihydro-2H-pyran-6-yl)-5-methyl-6-triethylsilyloxyoctan-3-ol?
(5R,6R)-8-[tert-butyl(diphenyl)silyl]oxy-1-(3,6-dihydro-2H-pyran-6-yl)-5-methyl-6-triethylsilyloxyoctan-3-ol has a molecular weight of 611.03 g/mol, XLogP of 7.86, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-8-[tert-butyl(diphenyl)silyl]oxy-1-(3,6-dihydro-2H-pyran-6-yl)-5-methyl-6-triethylsilyloxyoctan-3-ol is sourced from PubChem (CID 11250493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).