trimethyl-[(2S,5S)-2-(4-methylphenyl)sulfanyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane

C25H50O5SSi4 — CID 86222717

IUPACtrimethyl-[(2S,5S)-2-(4-methylphenyl)sulfanyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane
SMILESCc1ccc(S[C@@H]2OC(CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)cc1
InChIInChI=1S/C25H50O5SSi4/c1-19-14-16-20(17-15-19)31-25-24(30-35(11,12)13)23(29-34(8,9)10)22(28-33(5,6)7)21(27-25)18-26-32(2,3)4/h14-17,21-25H,18H2,1-13H3/t21?,22-,23?,24?,25-/m0/s1
InChIKeyFVWMHGKJMGETAM-BLYNBFPHSA-N
MW575.08 g/mol
LogP7.32
Rot. Bonds11

About trimethyl-[(2S,5S)-2-(4-methylphenyl)sulfanyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane

trimethyl-[(2S,5S)-2-(4-methylphenyl)sulfanyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane (PubChem CID 86222717) has the molecular formula C25H50O5SSi4 and a molecular weight of 575.08 g/mol. Its IUPAC name is trimethyl-[(2S,5S)-2-(4-methylphenyl)sulfanyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(2S,5S)-2-(4-methylphenyl)sulfanyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane
PubChem CID86222717
Molecular FormulaC25H50O5SSi4
Molecular Weight575.08 g/mol
Exact Mass574.25
IUPAC Nametrimethyl-[(2S,5S)-2-(4-methylphenyl)sulfanyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane
SMILESCc1ccc(S[C@@H]2OC(CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)cc1
InChIInChI=1S/C25H50O5SSi4/c1-19-14-16-20(17-15-19)31-25-24(30-35(11,12)13)23(29-34(8,9)10)22(28-33(5,6)7)21(27-25)18-26-32(2,3)4/h14-17,21-25H,18H2,1-13H3/t21?,22-,23?,24?,25-/m0/s1
InChIKeyFVWMHGKJMGETAM-BLYNBFPHSA-N
XLogP7.32
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.08
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 trimethyl-[(2S,5S)-2-(4-methylphenyl)sulfanyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane?
The IUPAC name of trimethyl-[(2S,5S)-2-(4-methylphenyl)sulfanyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane (CID 86222717) is trimethyl-[(2S,5S)-2-(4-methylphenyl)sulfanyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane.
What is the SMILES notation for trimethyl-[(2S,5S)-2-(4-methylphenyl)sulfanyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane?
The canonical SMILES for trimethyl-[(2S,5S)-2-(4-methylphenyl)sulfanyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane is Cc1ccc(S[C@@H]2OC(CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[(2S,5S)-2-(4-methylphenyl)sulfanyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane?
The InChIKey is FVWMHGKJMGETAM-BLYNBFPHSA-N. The full InChI is InChI=1S/C25H50O5SSi4/c1-19-14-16-20(17-15-19)31-25-24(30-35(11,12)13)23(29-34(8,9)10)22(28-33(5,6)7)21(27-25)18-26-32(2,3)4/h14-17,21-25H,18H2,1-13H3/t21?,22-,23?,24?,25-/m0/s1.
What are the key properties of trimethyl-[(2S,5S)-2-(4-methylphenyl)sulfanyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane?
trimethyl-[(2S,5S)-2-(4-methylphenyl)sulfanyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane has a molecular weight of 575.08 g/mol, XLogP of 7.32, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2S,5S)-2-(4-methylphenyl)sulfanyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane is sourced from PubChem (CID 86222717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).