(6R)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-8-methylsulfanyloctane-3,4-diol

C27H42O3SSi — CID 10344850

IUPAC(6R)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-8-methylsulfanyloctane-3,4-diol
SMILESCSCC[C@@H](CC(O)C(O)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H42O3SSi/c1-26(2,3)25(29)24(28)20-21(18-19-31-7)30-32(27(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21,24-25,28-29H,18-20H2,1-7H3/t21-,24?,25?/m0/s1
InChIKeyHCPDCLWRFDUUKT-ANYOXOOPSA-N
MW474.78 g/mol
LogP4.84
Rot. Bonds10

About (6R)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-8-methylsulfanyloctane-3,4-diol

(6R)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-8-methylsulfanyloctane-3,4-diol (PubChem CID 10344850) has the molecular formula C27H42O3SSi and a molecular weight of 474.78 g/mol. Its IUPAC name is (6R)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-8-methylsulfanyloctane-3,4-diol.

Molecular Properties

Compound Name(6R)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-8-methylsulfanyloctane-3,4-diol
PubChem CID10344850
Molecular FormulaC27H42O3SSi
Molecular Weight474.78 g/mol
Exact Mass474.26
IUPAC Name(6R)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-8-methylsulfanyloctane-3,4-diol
SMILESCSCC[C@@H](CC(O)C(O)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H42O3SSi/c1-26(2,3)25(29)24(28)20-21(18-19-31-7)30-32(27(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21,24-25,28-29H,18-20H2,1-7H3/t21-,24?,25?/m0/s1
InChIKeyHCPDCLWRFDUUKT-ANYOXOOPSA-N
XLogP4.84
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.78
LogP ≤ 54.84
H-Bond Donors ≤ 52
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 (6R)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-8-methylsulfanyloctane-3,4-diol?
The IUPAC name of (6R)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-8-methylsulfanyloctane-3,4-diol (CID 10344850) is (6R)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-8-methylsulfanyloctane-3,4-diol.
What is the SMILES notation for (6R)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-8-methylsulfanyloctane-3,4-diol?
The canonical SMILES for (6R)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-8-methylsulfanyloctane-3,4-diol is CSCC[C@@H](CC(O)C(O)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (6R)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-8-methylsulfanyloctane-3,4-diol?
The InChIKey is HCPDCLWRFDUUKT-ANYOXOOPSA-N. The full InChI is InChI=1S/C27H42O3SSi/c1-26(2,3)25(29)24(28)20-21(18-19-31-7)30-32(27(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21,24-25,28-29H,18-20H2,1-7H3/t21-,24?,25?/m0/s1.
What are the key properties of (6R)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-8-methylsulfanyloctane-3,4-diol?
(6R)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-8-methylsulfanyloctane-3,4-diol has a molecular weight of 474.78 g/mol, XLogP of 4.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-8-methylsulfanyloctane-3,4-diol is sourced from PubChem (CID 10344850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).